Structure of 43076-61-5
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CAS No. : | 43076-61-5 |
Formula : | C14H19ClO |
M.W : | 238.75 |
SMILES Code : | O=C(C1=CC=C(C(C)(C)C)C=C1)CCCCl |
MDL No. : | MFCD00018996 |
InChI Key : | RLKSQLJFGCDUOX-UHFFFAOYSA-N |
Pubchem ID : | 2723694 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H315-H319 |
Precautionary Statements: | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Num. heavy atoms | 16 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.5 |
Num. rotatable bonds | 5 |
Num. H-bond acceptors | 1.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 70.32 |
TPSA ? Topological Polar Surface Area: Calculated from |
17.07 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
2.93 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
4.16 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
4.19 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
3.76 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
4.68 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
3.94 |
Log S (ESOL):? ESOL: Topological method implemented from |
-3.89 |
Solubility | 0.0309 mg/ml ; 0.000129 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-4.23 |
Solubility | 0.0142 mg/ml ; 0.0000594 mol/l |
Class? Solubility class: Log S scale |
Moderately soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-5.39 |
Solubility | 0.000966 mg/ml ; 0.00000405 mol/l |
Class? Solubility class: Log S scale |
Moderately soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
No |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
Yes |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-4.8 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
1.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<2.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.66 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55.27% | With potassium carbonate In 4-methyl-2-pentanone at 105 - 116℃; for 2.25 h; Inert atmosphere | 2.2 Synthesis of I" from Benzyhydryloxypiperidine toluenesulfonate Benzhydryloxypiperidine toluenesulfonate (1 1.44 g, 0.025 mol), 4'-tert-butyl-4- chlorobutyrophenone (10.15 g, 170 mol percent), potassium carbonate (8.47 g, 245 mol percent) and methyl isobutyl ketone (18.3 g) were placed in a round bottom flask and a further 20 mL of methyl isobutyl ketone were added and the reaction mixture was placed under a nitrogen atmosphere. The mixture was heated to between 1 15-116°C and vigorous evolution of gas was noted. The reaction mixture was heated at reflux temperature (105-1 15 °C) for 2 h and 15 minutes and then cooled to 30 °C internal temperature. Water (50 mL) was added and the phases were separated. The organic phase was washed with water (3x 50 mL) and then concentrated under reduced pressure (45 °C, 8 mbar) to give the crude product. The crude material was suspended in ethanol (30 mL, 96percent denatured with toluene) and the mixture was heated to reflux (82°C). The resulting solution was stirred at reflux temperature for 15 minutes and then cooled to 30 °C (the solution was seeded with a small quantity of I") and stirred at 30 °C for 30 minutes. The resulting suspension was then cooled to 2-3 °C and stirred at this temperature for 1 h. The product was isolated by filtration and washed with ethanol (3 x 5 niL). The moist product was dried in a vacuum oven (45°C) to give pure I" (6.49 g, 55.27percent). HPLC purity (areapercent): 99.27percent RRT 0.62 0.38percent. |
55.27% | With potassium carbonate In 4-methyl-2-pentanone at 105 - 116℃; Inert atmosphere | 2.2 Synthesis of I' from Benzyhydryloxypiperidine toluenesulfonate Benzhydryloxypiperidine toluenesulfonate (11.44 g, 0.025 mol), 4'-tert-butyl-4-chlorobutyrophenone (10.15 g, 170 mol percent), potassium carbonate (8.47 g, 245 mol percent) and methyl isobutyl ketone (18.3 g) were placed in a round bottom flask and a further 20 mL of methyl isobutyl ketone were added and the reaction mixture was placed under a nitrogen atmosphere. The mixture was heated to between 115-116°C and vigorous evolution of gas was noted. The reaction mixture was heated at reflux temperature (105-115 °C) for 2 h and 15 minutes and then cooled to 30 °C internal temperature. Water (50 mL) was added and the phases were separated. The organic phase was washed with water (3x 50 mL) and then concentrated under reduced pressure (45 °C, 8 mbar) to give the crude product. The crude material was suspended in ethanol (30 mL, 96percent denatured with toluene) and the mixture was heated to reflux (82°C). The resulting solution was stirred at reflux temperature for 15 minutes and then cooled to 30 °C (the solution was seeded with a small quantity of I') and stirred at 30 °C for 30 minutes. The resulting suspension was then cooled to 2-3°C and stirred at this temperature for 1 h. The product was isolated by filtration and washed with ethanol (3 x 5 mL). The moist product was dried in a vacuum oven (45°C) to give pure I' (6.49 g, 55.27percent). HPLC purity (areapercent): 99.27percent RRT 0.62 0.38percent. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
31 g | Stage #1: With aluminum (III) chloride; trifluorormethanesulfonic acid In toluene at 50℃; for 0.333333 h; Stage #2: With toluene-4-sulfonic acid In water; toluene for 5 h; Reflux Stage #3: With sodium hydrogencarbonate In water; toluene for 12 h; Reflux |
The preparation method of ebastine provided in this embodiment specifically includes the following steps: (1) Add benzophenone (30 g, 0.165 mol) to 300 mL of toluene solution, stir and dissolve, aluminum trichloride (2.2 g, 0.017 mol) was added in sequence,trifluoromethanesulfonic acid (2.5 g, 0.018 mol),the mixture was heated to 50 ° C for 20 min, cooled to room temperature, p-toluenesulfonic acid (31.2 g, 0.18 mol) was added, 4-hydroxypiperidine (17.2 g, 0.17 mol) was added, and the mixture was heated to reflux, and refluxed with water for 5 h. After the reaction was completed, the reaction solution was cooled to room temperature, and 230 mL of 1N NaOH solution was slowly added thereto under ice cooling, and the mixture was stirred for 30 minutes, left to stand for 30 minutes, and the aqueous layer was separated. The organic layer was further added with sodium hydrogencarbonate (35 g, 0.41 mol). ,4-chloro-1-(4-tert-butylphenyl)-1-butanone (37.5 g, 0.157 mol), warmed to reflux, and refluxed with water for 12 h. After the reaction was completed, the temperature was lowered to room temperature and washed three times. , 200mL each time, wash to neutral.(2) The obtained organic solution was evaporated to the remaining 10percent volume, 100 mL of 95percent ethanol was added, the temperature was dissolved, the temperature was lowered to -10 ° C, and the crystal was frozen for 12 hours. The next day, the crystal was filtered off and dried to obtain ebastine (31g) 0.067mol), mp 84.2-86.3°C, total yield 40percent |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66.43% | With sodium hydrogencarbonate In toluene for 12 h; Reflux | Example 3. Preparation of discoloured l-[4-(l,l-dimethyIethyl)phenyI]-4-[4- (diphenylmethoxy)-l-piperidinyl]-l-butanone I"A toluene solution of 4-benzhydryloxypiperidine (73.27 g of the toluene solution contained 26.74 g of 4-benzhydryloxypiperidine), sodium hydrogen carbonate (14.28 g), DMF (5.3 mL) and 4'-tert-butyl-4-chloro-butyrophenone (28.65 g) were heated to reflux temperature. The reaction mixture was heated at reflux temperature for 12 h, to produce a solution of I" of 84.3percent) purity on the basis of HPLC area-percent and then cooled to room temperature. The orange reaction mixture was washed with water (3 x 100 mL) and the organic phase wasconcentrated under reduced pressure. Ethanol (110 mL) was added to the residue and the mixture was heated to reflux. The hot solution was filtered and the filtrate was cooled to 2 °C. The product was isolated by filtration and washed with ethanol (5 x 20 mL). The product was dried in a vacuum oven for several hours to afford the title compound (31.2 g, 66.43 percent) as a beige solid (commercial I" is white and specifications (such as those found in the European Pharmacopoeia) require a white to almost white crystalline substance). HPLC purity 99.77 percent, significant impurities at relative retention times 0.05 and 0.19 were observed and had HPLC area-percent of 0.04 and 0.06percent>. Discolouration was also sometimes observed when other solvents, including methyl isobutyl ketone were used, but was able to be efficiently suppressed when air was excluded from the reaction mixture, or was able to be efficiently suppressed when an adequate purification procedure by salt formation/neutralization, alternatively or optionally in combination with recrystallization, was used. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66.43% | With sodium hydrogencarbonate; In toluene; for 12h;Reflux;Product distribution / selectivity; | Example 3. Preparation of discoloured l-[4-(l,l-dimethyIethyl)phenyI]-4-[4- (diphenylmethoxy)-l-piperidinyl]-l-butanone I"A toluene solution of 4-benzhydryloxypiperidine (73.27 g of the toluene solution contained 26.74 g of 4-benzhydryloxypiperidine), sodium hydrogen carbonate (14.28 g), DMF (5.3 mL) and 4'-tert-butyl-4-chloro-butyrophenone (28.65 g) were heated to reflux temperature. The reaction mixture was heated at reflux temperature for 12 h, to produce a solution of I" of 84.3%) purity on the basis of HPLC area-% and then cooled to room temperature. The orange reaction mixture was washed with water (3 x 100 mL) and the organic phase wasconcentrated under reduced pressure. Ethanol (110 mL) was added to the residue and the mixture was heated to reflux. The hot solution was filtered and the filtrate was cooled to 2 C. The product was isolated by filtration and washed with ethanol (5 x 20 mL). The product was dried in a vacuum oven for several hours to afford the title compound (31.2 g, 66.43 %) as a beige solid (commercial I" is white and specifications (such as those found in the European Pharmacopoeia) require a white to almost white crystalline substance). HPLC purity 99.77 %, significant impurities at relative retention times 0.05 and 0.19 were observed and had HPLC area-% of 0.04 and 0.06%>. Discolouration was also sometimes observed when other solvents, including methyl isobutyl ketone were used, but was able to be efficiently suppressed when air was excluded from the reaction mixture, or was able to be efficiently suppressed when an adequate purification procedure by salt formation/neutralization, alternatively or optionally in combination with recrystallization, was used. |
With sodium hydrogencarbonate; In N,N-dimethyl-formamide; toluene; for 12h;Reflux;Product distribution / selectivity; | Example 3. Preparation of discoloured 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone I' A toluene solution of 4-benzhydryloxypiperidine (73.27 g of the toluene solution contained 26.74 g of 4-benzhydryloxypiperidine), sodium hydrogen carbonate (14.28 g), DMF (5.3 mL) and 4'-tert-butyl-4-chloro-butyrophenone (28.65 g) were heated to reflux temperature. The reaction mixture was heated at reflux temperature for 12 h, to produce a solution of I' of 84.3% purity on the basis of HPLC area-% and then cooled to room temperature. The orange reaction mixture was washed with water (3 x 100 mL) and the organic phase was concentrated under reduced pressure. Ethanol (110 mL) was added to the residue and the mixture was heated to reflux. The hot solution was filtered and the filtrate was cooled to 2 C. The product was isolated by filtration and washed with ethanol (5 x 20 mL). The product was dried in a vacuum oven for several hours to afford the title compound (31.2 g, 66.43 %) as a beige solid (commercial I' is white and specifications (such as those found in the European Pharmacopoeia) require a white to almost white crystalline substance). HPLC purity 99.77 %, significant impurities at relative retention times 0.05 and 0.19 were observed and had HPLC area-% of 0.04 and 0.06%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
sodium hydrogencarbonate; In 4-methyl-2-pentanone; at 119℃; for 11h; | Example 5. Preparation of l-[4-(l,l-dimethylethyI)phenyI]-4-[4-(diphenyImethoxy)-l- piperidinyl]-l-butanone I"A mixture of 4-Benzhydryloxypiperidine hydrochloride IP'.HCl (15.19 g, 50 mmol), sodium hydrogen carbonate (10.08 g), methyl isobutyl ketone (24.30 g) and 4'-tert-butyl-4-chloro- butyrophenone III" (14.33 g) was heated to reflux (119 C) for 11 h (at this point, analysis indicated that an Ebastine solution of 81.94% purity had been formed, based on HPLC area- %). The reaction mixture was cooled to room temperature and water (100 mL) and sodium chloride (1 g) were added. The organic phase was washed with sodium chloride solution (2 x 100 mL) and oxalic acid (4.17 g) was added to the organic phase, the oxalate salt was isolated by filtration and washed twice with acetone to give the moist oxalate salt I".H2C204 (22.06 g). The oxalate salt was suspended in water (100 mL) and aqueous ammonia (12.5 % was added dropwise until a pH of 7-7.5 was obtained). The product was isolated by filtration and washed with water (3x 20 mL). The moist product (18.97 g) was dried to give l-[4-(l,l- dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-l-piperidinyl]-l-butanone I" (13.42 g, 57.15%). HPLC 89.2 %. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55.27% | With potassium carbonate; In 4-methyl-2-pentanone; at 105 - 116℃; for 2.25h;Inert atmosphere; | 2.2 Synthesis of I" from Benzyhydryloxypiperidine toluenesulfonate Benzhydryloxypiperidine toluenesulfonate (1 1.44 g, 0.025 mol), 4'-tert-butyl-4- chlorobutyrophenone (10.15 g, 170 mol %), potassium carbonate (8.47 g, 245 mol %) and methyl isobutyl ketone (18.3 g) were placed in a round bottom flask and a further 20 mL of methyl isobutyl ketone were added and the reaction mixture was placed under a nitrogen atmosphere. The mixture was heated to between 1 15-116C and vigorous evolution of gas was noted. The reaction mixture was heated at reflux temperature (105-1 15 C) for 2 h and 15 minutes and then cooled to 30 C internal temperature. Water (50 mL) was added and the phases were separated. The organic phase was washed with water (3x 50 mL) and then concentrated under reduced pressure (45 C, 8 mbar) to give the crude product. The crude material was suspended in ethanol (30 mL, 96% denatured with toluene) and the mixture was heated to reflux (82C). The resulting solution was stirred at reflux temperature for 15 minutes and then cooled to 30 C (the solution was seeded with a small quantity of I") and stirred at 30 C for 30 minutes. The resulting suspension was then cooled to 2-3 C and stirred at this temperature for 1 h. The product was isolated by filtration and washed with ethanol (3 x 5 niL). The moist product was dried in a vacuum oven (45C) to give pure I" (6.49 g, 55.27%). HPLC purity (area%): 99.27% RRT 0.62 0.38%. |
55.27% | With potassium carbonate; In 4-methyl-2-pentanone; at 105 - 116℃;Inert atmosphere; | 2.2 Synthesis of I' from Benzyhydryloxypiperidine toluenesulfonate Benzhydryloxypiperidine toluenesulfonate (11.44 g, 0.025 mol), 4'-tert-butyl-4-chlorobutyrophenone (10.15 g, 170 mol %), potassium carbonate (8.47 g, 245 mol %) and methyl isobutyl ketone (18.3 g) were placed in a round bottom flask and a further 20 mL of methyl isobutyl ketone were added and the reaction mixture was placed under a nitrogen atmosphere. The mixture was heated to between 115-116C and vigorous evolution of gas was noted. The reaction mixture was heated at reflux temperature (105-115 C) for 2 h and 15 minutes and then cooled to 30 C internal temperature. Water (50 mL) was added and the phases were separated. The organic phase was washed with water (3x 50 mL) and then concentrated under reduced pressure (45 C, 8 mbar) to give the crude product. The crude material was suspended in ethanol (30 mL, 96% denatured with toluene) and the mixture was heated to reflux (82C). The resulting solution was stirred at reflux temperature for 15 minutes and then cooled to 30 C (the solution was seeded with a small quantity of I') and stirred at 30 C for 30 minutes. The resulting suspension was then cooled to 2-3C and stirred at this temperature for 1 h. The product was isolated by filtration and washed with ethanol (3 x 5 mL). The moist product was dried in a vacuum oven (45C) to give pure I' (6.49 g, 55.27%). HPLC purity (area%): 99.27% RRT 0.62 0.38%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Example 5. Preparation of 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone I' A mixture of 4-Benzhydryloxypiperidine hydrochloride II'.HCl (15.19 g, 50 mmol), sodium hydrogen carbonate (10.08 g), methyl isobutyl ketone (24.30 g) and 4'-tert-butyl-4-chloro*butyrophenone III' (14.33 g) was heated to reflux (119 C) for 11 h (at this point, analysis indicated that an Ebastine solution of 81.94% purity had been formed, based on HPLC area-%). The reaction mixture was cooled to room temperature and water (100 mL) and sodium chloride (1 g) were added. The organic phase was washed with sodium chloride solution (2 x 100 mL) and oxalic acid (4.17 g) was added to the organic phase, the oxalate salt was isolated by filtration and washed twice with acetone to give the moist oxalate salt I'.H2C2O4 (22.06 g). The oxalate salt was suspended in water (100 mL) and aqueous ammonia (12.5 % was added dropwise until a pH of 7-7.5 was obtained). The product was isolated by filtration and washed with water (3x 20 mL). The moist product (18.97 g) was dried to give 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone I' (13.42 g, 57.15%). HPLC 89.2 %. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
31 g | The preparation method of ebastine provided in this embodiment specifically includes the following steps: (1) Add benzophenone (30 g, 0.165 mol) to 300 mL of toluene solution, stir and dissolve, aluminum trichloride (2.2 g, 0.017 mol) was added in sequence,trifluoromethanesulfonic acid (2.5 g, 0.018 mol),the mixture was heated to 50 C for 20 min, cooled to room temperature, p-toluenesulfonic acid (31.2 g, 0.18 mol) was added, 4-hydroxypiperidine (17.2 g, 0.17 mol) was added, and the mixture was heated to reflux, and refluxed with water for 5 h. After the reaction was completed, the reaction solution was cooled to room temperature, and 230 mL of 1N NaOH solution was slowly added thereto under ice cooling, and the mixture was stirred for 30 minutes, left to stand for 30 minutes, and the aqueous layer was separated. The organic layer was further added with sodium hydrogencarbonate (35 g, 0.41 mol). ,4-chloro-1-(4-tert-butylphenyl)-1-butanone (37.5 g, 0.157 mol), warmed to reflux, and refluxed with water for 12 h. After the reaction was completed, the temperature was lowered to room temperature and washed three times. , 200mL each time, wash to neutral.(2) The obtained organic solution was evaporated to the remaining 10% volume, 100 mL of 95% ethanol was added, the temperature was dissolved, the temperature was lowered to -10 C, and the crystal was frozen for 12 hours. The next day, the crystal was filtered off and dried to obtain ebastine (31g) 0.067mol), mp 84.2-86.3C, total yield 40% |
Tags: 43076-61-5 synthesis path| 43076-61-5 SDS| 43076-61-5 COA| 43076-61-5 purity| 43076-61-5 application| 43076-61-5 NMR| 43076-61-5 COA| 43076-61-5 structure
Precautionary Statements-General | |
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P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
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P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
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P285 | In case of inadequate ventilation wear respiratory protection. |
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Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
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P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
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P334 | Immerse in cool water/wrap n wet bandages. |
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P342 | If experiencing respiratory symptoms: |
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P351 | Rinse cautiously with water for several minutes. |
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P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
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