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CAS No. : | 2602-85-9 | MDL No. : | MFCD08848199 |
Formula : | C8H4N2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UYHQUNLVWOAJQW-UHFFFAOYSA-N |
M.W : | 160.20 | Pubchem ID : | 638560 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 44.34 |
TPSA : | 64.92 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.86 cm/s |
Log Po/w (iLOGP) : | 1.8 |
Log Po/w (XLOGP3) : | 1.99 |
Log Po/w (WLOGP) : | 2.17 |
Log Po/w (MLOGP) : | 0.83 |
Log Po/w (SILICOS-IT) : | 3.11 |
Consensus Log Po/w : | 1.98 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.69 |
Solubility : | 0.325 mg/ml ; 0.00203 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.98 |
Solubility : | 0.168 mg/ml ; 0.00105 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.04 |
Solubility : | 0.145 mg/ml ; 0.000904 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.21 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302+H312+H332-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* 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 |
---|---|---|
43% | With pyridine; copper(l) iodide; at 115℃; under 760.051 Torr; for 0.5h;Microwave irradiation; Inert atmosphere; | General procedure: 4.3. Microwave-assisted copper(I)-mediated cyclization ofortho-bromoaryliminodithiazoles (7e10)A stirred solution of the appropriate aryliminodithiazole(15 mmol) and copper iodide (CuI, 2.857 g,15 mmol) in dry pyridine(150 mL) was heated under microwave irradiation (400 W) at115 C for 30 min at atmospheric pressure. The dark solution wasevaporated in vacuo. The resulting black residue was dissolved inethyl acetate and washed with a saturated solution of sodiumthiosulfate and brine. The organic layer was dried over magnesiumsulfate and evaporated in vacuo. Purification of the dark brownresidue by flash chromatography using petroleumether/methylenechloride (100:0 to 0:100, v/v) (benzothiazole series) or methylenechloride/ethyl acetate (100:0 to 0:100, v/v) (thiazolopyridine series)as eluent afforded the corresponding cyano derivatives.4.3.1. Benzo[d]thiazole-2-carbonitrile (7). Yield 43% (1.032 g), colourlesssolid, mp75e77 C; IR (cm1) ymax 3084, 3066, 2229,1550,1466, 1455, 1421, 1317, 1242, 1148, 1133, 1122, 874, 759, 726, 702; 1HNMR (300 MHz, DMSO-d6) d 8.45e8.32 (m, 1H, Har), 8.31e8.22 (m,1H, Har), 7.79e7.64 (m, 1H, Har); 13C NMR (75 MHz, DMSO-d6)d152.2, 137.6, 135.9, 129.2, 128.6, 125.1, 123.6, 113.9; HRMS calcd forC8H5N2S [MH] 161.0173, found 161.0170. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | Precursor B--benzothiazole hydroxy nitrile To a solution of 1 equivalent of 2-chloro-6-alkoxybenzothiazole (C. G. Stuckwisch J. Am. Chem. Soc., 1949, 3417.) in DMSO (1M) was added 5 eq of sodium cyanide. The solution was heated to 80 C. for 8 h and then allowed to cool to RT overnight. After workup, the residue was purified by column chromatography using hexanes:ethyl acetate to form the cyano benzothiazole in 60% yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57% | 2-Cyanobenzothiazole: A suspension of potassium cyanide (1.50 g, 23.0 mmol) in dimethylsulfoxide (DMSO, 100 mL) was prepared in a 1-L 3-necked flask fitted with a reflux condenser, a heating mantle and an internal temperature probe. The 2-chlorobenzothiazole (2.6 g, 2.0 mL, 15.3 mmol) was added to the reaction flask via pipet and the reaction was heated at 80 C. (internal temperature). The reaction was monitored periodically by TLC (9:1 heptane-ethyl acetate). After 5 hours the reaction appeared to be about 50% complete. After 17 hours the reaction was judged complete by TLC analysis. The reaction mixture was allowed to cool to room temperature and was then extracted with ether (5×100 mL). The extracts were dried over sodium sulfate and concentrated to give a yellow-orange solid. The crude solid was purified on silica gel (100 g) using 9:1 heptane-ethyl acetate. Fractions containing product were pooled and concentrated to give 1.4 g (57%) of the desired product as a yellow-orange solid. The structure was confirmed by 1H NMR analysis in DMSO-d6 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | A solution of 0.39 M aqueous cysteine hydrochloride monohydrate (1.3 equivalents, based on the quantity of the 2-cyanobenzothiazole derivative) was added dropwise to an equal volume of a 0.39 M solution of potassium carbonate, maintaining the pH at 6-7 by addition of 6 M HCl. In a separate reaction flask the 2-cyanobenzothiazole derivative was dissolved in sufficient methanol to prepare a 0.1 M solution. This solution was purged with nitrogen to remove oxygen. The cysteine/potassium carbonate solution described above was added dropwise to the reaction flask containing the 2-cyanobenzothiazole derivative, maintaining the pH at 6-7 by addition of 6 M HCl. The reaction was monitored by TLC, and when complete the reaction mixture was concentrated by rotoevaporation using a cold water bath (<30 C.).6'-Deoxyluciferin (H-Luc). Prepared from 2-cyanobenzothiazole (100 mg, 0.62 mmol) according to the general procedure. The crude solid product was purified by flash chromatography on silica gel (20 g) using 9:1 dichloromethane-methanol to afford 163 mg (99%) of desired product as a pale yellow solid. This material was 96% pure by HPLC analysis. MS (ESI-): m/z 263.40 (M-H)-; calc'd: 262.99. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sulfuric acid; nitric acid; at 0℃; for 2.75h; | Example 9Synthesis of 2-cyano-6-nitrobenzothiazole (11)2-Cyano-6-nitrobenzothiazole was synthesized from <strong>[2602-85-9]2-<strong>[2602-85-9]cyanobenzothiazole</strong></strong> according to the following reaction scheme. In particular <strong>[2602-85-9]2-cyano-benzothiazole</strong> 10 (0.84 mmol, 0.134 g) was suspended in 0.563 ml conc. H2SO4 at 0 C. 1.3 equivalents of concentrated HNO3 (1.1 mmol, 0.069 g) was added portionwise over 10 min to the stirring solution; not to exceed 0 C. over a total of 45 min. The reaction proceeded further for 2 h and at 5 h the product was evident. The reaction was then poured over ice/water, extracted into EtOAc, and concentrated in vacuo to yield a crude yellow residue 11. For analytical characterization, a small portion was purified by semi-preparative HPLC at 10 mL/min on a Waters preparative machine (Waters Symmetry prep C18, 7 mum, 19×300 mm column, photodiode array detection) with a linear gradient from 90% H2O (0.1% TFA) to 50% MeCN (0.1% TFA) for 30 min yielding a large product peak at 27 minutes. The fractions were collected and lyophilized using Kinetics Flexi-Dry freeze-dryer.Further NMR can be performed to detect the monofunctional benzothiazole comprising the NO2 at position C6 versus thiazole substituted in the C4, C5, or C7 positions. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | Example 8Synthesis of 2-cyanobenzothiazole (10)2-Cyanobenzothiazole was synthesized from benzothiazole-2-carboxamide according to the following reaction scheme. Benzothiazole-2-carboxamide 8 (0.61 mmol, 0.1 g) was dissolved in anhydrous pyridine (0.080 mol, 6.5 ml) and stirred under N2 at 0 C. The temperature of the reaction was dropped to 0 C. during dropwise addition of POCl3 (0.015 mol, 1.4 ml). The solution immediately changed from clear to a pale pink coloring with addition of POCl3. After 20 min, the acetone/ice bath was removed and the reaction was stirred at RT for 2 h further. The tan/brown-colored reaction was then transferred to a larger reaction flask containing 10 ml EtOAc at 0 C. The reaction was quenched by the dropwise addition of water. The organic product 10 was washed with water, extracted with EtOAc, and concentrated in vacuo to yield a light yellow/orange product. TLC analysis (3 Hexane: 2 EtOAc) and Agilent HPLC displayed 100% conversion to the desired product (single peak at 10.5 min). The compound was used in the subsequent step without purification (95% yield). ESI-MS: m/z calcd for C8H4N2S 161.01 (M+H)+, 160.86 found (100%). (see LC/MS spectra of FIG. 19A and NMR spectra of FIG. 19B). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With hydrogen sulfide; In dimethyl sulfoxide; at 20℃; | General procedure: The corresponding nitrile (100 mmol) prepared as described previously18 was dissolved in DMSO (25 mL) and H2S was slowly bubbled through the solution until no more gas was consumed. The solution was stirred at r.t. and the reaction progress was monitored by TLC (acetone). H2O was added to precipitate the product, the solid formed was collected by filtration, and recrystallized from DMF. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | In methanol; aq. phosphate buffer; for 2h;pH 8;Inert atmosphere; | Example 18 Preparation of Compound 28: (S)-2-(benzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxamide (S)-2-amino-3-mercaptopropanamide obtained in Example 1 (9 mg, 0.748 mmol) was dissolved in a 50 mM aqueous sodium phosphate buffer (pH 8, 2 mL). After the solution was degassed using argon, it was added to <strong>[2602-85-9]benzo[d]thiazole-2-carbonitrile</strong> (10 mg, 0.062 mmol) in 2 mL of degassed methanol. The reaction mixture was stirred for 2 hours, and then diluted with a sodium phosphate buffer and extracted with ethyl acetate (2*30 mL). The combined organic layers were washed with water (3*30 mL), dried (Na2SO4), filtered, and concentrated. The crude compound was purified by flash chromatography on silica gel eluting with an ethyl acetate/hexane (7:3) mixture to afford Compound 28 as a white solid (13 mg, 79%). 1H NMR (400 MHz, CDCl3): delta 8.16 (d, 1H, J=8.4 Hz), 7.94 (d, 1H, J=8.4 Hz), 7.49-7.57 (m, 2H), 6.70 (brs, 1H), 5.85 (brs. 1H), 5.31 (t, 1H, J=9.6 Hz), 3.81 (d, 2H, J=9.6 Hz). 13C-NMR (100 MHz, CDCl3): delta 173.0, 166.9, 160.5, 153.4, 136.0, 127.5, 127.1, 125.0, 122.1, 79.1, 35.2. HRMS (ESI+) Calcd for C11H9N3OS2Na: 286.0085. Found: 286.0067. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | In N,N-dimethyl-formamide; at 180℃; for 3h;Sealed tube; Microwave irradiation; Inert atmosphere; | General procedure: 4.6. Microwave-assisted synthesis of N-(4-phenylthiazol-2-yl)-benzo[d]thiazole-, thiazolo[4,5-b]pyridine-, thiazolo[5,4-b]pyridine-, benzo[d]oxazole-2-carboximidamides (19e45)In a sealed tube, a stirred solution of carbonitrile (2 mmol) andthe appropriate 4-phenylthiazol-2-amine (2.4 mmol) in dry DMF(4 mL) was heated under microwave irradiation (800 W) at 180 Cfor 3 h. Evaporation of the solvent gave a crude product, which waspurified by flash chromatography using petroleum ether/methylenechloride (100:0 to 0:100, v/v) as eluent. 4.6.1. N-(4-Phenylthiazol-2-yl)benzo[d]thiazole-2-carboximidamide(19). Yield 80% (0.536 g), yellow solid, mp228e230 C; IR (cm1)ymax 3364, 3107, 2914, 1619, 1592, 1537, 1509, 1476, 1318, 1234, 1117,1044, 818, 766, 754, 726, 619; 1H NMR (300 MHz, DMSO-d6) d 9.54(br s, bs, 1H, NH), 9.26 (br s, 1H, NH), 8.25e8.19 (m, 1H, Har), 8.16 (d,J7.5 Hz, 1H, Har), 7.95 (d, J7.2 Hz, 2H, H-Ph), 7.84 (s, 1H, Hthiazole),7.68e7.55 (m, 2H, Har), 7.48 (t, J7.5 Hz, 2H, H-Ph), 7.37 (t, J7.3 Hz,1H, H-Ph); 13C NMR (75 MHz, DMSO-d6) d 173.2, 165.6, 153.7, 151.8,151.7, 136.9, 134.6, 129.4 (2C), 128.7, 127.6, 127.5, 126.3 (2C), 124.2,123.4, 110.6; HRMS calcd for C17H13N4S2 [MH] 337.0582, found337.0596. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | In N,N-dimethyl-formamide; at 180℃; for 3h;Sealed tube; Microwave irradiation; Inert atmosphere; | General procedure: 4.6. Microwave-assisted synthesis of N-(4-phenylthiazol-2-yl)-benzo[d]thiazole-, thiazolo[4,5-b]pyridine-, thiazolo[5,4-b]pyridine-, benzo[d]oxazole-2-carboximidamides (19e45)In a sealed tube, a stirred solution of carbonitrile (2 mmol) andthe appropriate 4-phenylthiazol-2-amine (2.4 mmol) in dry DMF(4 mL) was heated under microwave irradiation (800 W) at 180 Cfor 3 h. Evaporation of the solvent gave a crude product, which waspurified by flash chromatography using petroleum ether/methylenechloride (100:0 to 0:100, v/v) as eluent. 4.6.1. N-(4-Phenylthiazol-2-yl)benzo[d]thiazole-2-carboximidamide(19). Yield 80% (0.536 g), yellow solid, mp228e230 C; IR (cm1)ymax 3364, 3107, 2914, 1619, 1592, 1537, 1509, 1476, 1318, 1234, 1117,1044, 818, 766, 754, 726, 619; 1H NMR (300 MHz, DMSO-d6) d 9.54(br s, bs, 1H, NH), 9.26 (br s, 1H, NH), 8.25e8.19 (m, 1H, Har), 8.16 (d,J7.5 Hz, 1H, Har), 7.95 (d, J7.2 Hz, 2H, H-Ph), 7.84 (s, 1H, Hthiazole),7.68e7.55 (m, 2H, Har), 7.48 (t, J7.5 Hz, 2H, H-Ph), 7.37 (t, J7.3 Hz,1H, H-Ph); 13C NMR (75 MHz, DMSO-d6) d 173.2, 165.6, 153.7, 151.8,151.7, 136.9, 134.6, 129.4 (2C), 128.7, 127.6, 127.5, 126.3 (2C), 124.2,123.4, 110.6; HRMS calcd for C17H13N4S2 [MH] 337.0582, found337.0596. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
40% | In N,N-dimethyl-formamide; at 180℃; for 3h;Sealed tube; Microwave irradiation; Inert atmosphere; | General procedure: 4.6. Microwave-assisted synthesis of N-(4-phenylthiazol-2-yl)-benzo[d]thiazole-, thiazolo[4,5-b]pyridine-, thiazolo[5,4-b]pyridine-, benzo[d]oxazole-2-carboximidamides (19e45)In a sealed tube, a stirred solution of carbonitrile (2 mmol) andthe appropriate 4-phenylthiazol-2-amine (2.4 mmol) in dry DMF(4 mL) was heated under microwave irradiation (800 W) at 180 Cfor 3 h. Evaporation of the solvent gave a crude product, which waspurified by flash chromatography using petroleum ether/methylenechloride (100:0 to 0:100, v/v) as eluent. 4.6.1. N-(4-Phenylthiazol-2-yl)benzo[d]thiazole-2-carboximidamide(19). Yield 80% (0.536 g), yellow solid, mp228e230 C; IR (cm1)ymax 3364, 3107, 2914, 1619, 1592, 1537, 1509, 1476, 1318, 1234, 1117,1044, 818, 766, 754, 726, 619; 1H NMR (300 MHz, DMSO-d6) d 9.54(br s, bs, 1H, NH), 9.26 (br s, 1H, NH), 8.25e8.19 (m, 1H, Har), 8.16 (d,J7.5 Hz, 1H, Har), 7.95 (d, J7.2 Hz, 2H, H-Ph), 7.84 (s, 1H, Hthiazole),7.68e7.55 (m, 2H, Har), 7.48 (t, J7.5 Hz, 2H, H-Ph), 7.37 (t, J7.3 Hz,1H, H-Ph); 13C NMR (75 MHz, DMSO-d6) d 173.2, 165.6, 153.7, 151.8,151.7, 136.9, 134.6, 129.4 (2C), 128.7, 127.6, 127.5, 126.3 (2C), 124.2,123.4, 110.6; HRMS calcd for C17H13N4S2 [MH] 337.0582, found337.0596. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | In N,N-dimethyl-formamide; at 180℃; for 3h;Sealed tube; Microwave irradiation; Inert atmosphere; | General procedure: 4.6. Microwave-assisted synthesis of N-(4-phenylthiazol-2-yl)-benzo[d]thiazole-, thiazolo[4,5-b]pyridine-, thiazolo[5,4-b]pyridine-, benzo[d]oxazole-2-carboximidamides (19e45)In a sealed tube, a stirred solution of carbonitrile (2 mmol) andthe appropriate 4-phenylthiazol-2-amine (2.4 mmol) in dry DMF(4 mL) was heated under microwave irradiation (800 W) at 180 Cfor 3 h. Evaporation of the solvent gave a crude product, which waspurified by flash chromatography using petroleum ether/methylenechloride (100:0 to 0:100, v/v) as eluent. 4.6.1. N-(4-Phenylthiazol-2-yl)benzo[d]thiazole-2-carboximidamide(19). Yield 80% (0.536 g), yellow solid, mp228e230 C; IR (cm1)ymax 3364, 3107, 2914, 1619, 1592, 1537, 1509, 1476, 1318, 1234, 1117,1044, 818, 766, 754, 726, 619; 1H NMR (300 MHz, DMSO-d6) d 9.54(br s, bs, 1H, NH), 9.26 (br s, 1H, NH), 8.25e8.19 (m, 1H, Har), 8.16 (d,J7.5 Hz, 1H, Har), 7.95 (d, J7.2 Hz, 2H, H-Ph), 7.84 (s, 1H, Hthiazole),7.68e7.55 (m, 2H, Har), 7.48 (t, J7.5 Hz, 2H, H-Ph), 7.37 (t, J7.3 Hz,1H, H-Ph); 13C NMR (75 MHz, DMSO-d6) d 173.2, 165.6, 153.7, 151.8,151.7, 136.9, 134.6, 129.4 (2C), 128.7, 127.6, 127.5, 126.3 (2C), 124.2,123.4, 110.6; HRMS calcd for C17H13N4S2 [MH] 337.0582, found337.0596. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | In N,N-dimethyl-formamide; at 180℃; for 3h;Sealed tube; Microwave irradiation; Inert atmosphere; | General procedure: 4.6. Microwave-assisted synthesis of N-(4-phenylthiazol-2-yl)-benzo[d]thiazole-, thiazolo[4,5-b]pyridine-, thiazolo[5,4-b]pyridine-, benzo[d]oxazole-2-carboximidamides (19e45)In a sealed tube, a stirred solution of carbonitrile (2 mmol) andthe appropriate 4-phenylthiazol-2-amine (2.4 mmol) in dry DMF(4 mL) was heated under microwave irradiation (800 W) at 180 Cfor 3 h. Evaporation of the solvent gave a crude product, which waspurified by flash chromatography using petroleum ether/methylenechloride (100:0 to 0:100, v/v) as eluent. 4.6.1. N-(4-Phenylthiazol-2-yl)benzo[d]thiazole-2-carboximidamide(19). Yield 80% (0.536 g), yellow solid, mp228e230 C; IR (cm1)ymax 3364, 3107, 2914, 1619, 1592, 1537, 1509, 1476, 1318, 1234, 1117,1044, 818, 766, 754, 726, 619; 1H NMR (300 MHz, DMSO-d6) d 9.54(br s, bs, 1H, NH), 9.26 (br s, 1H, NH), 8.25e8.19 (m, 1H, Har), 8.16 (d,J7.5 Hz, 1H, Har), 7.95 (d, J7.2 Hz, 2H, H-Ph), 7.84 (s, 1H, Hthiazole),7.68e7.55 (m, 2H, Har), 7.48 (t, J7.5 Hz, 2H, H-Ph), 7.37 (t, J7.3 Hz,1H, H-Ph); 13C NMR (75 MHz, DMSO-d6) d 173.2, 165.6, 153.7, 151.8,151.7, 136.9, 134.6, 129.4 (2C), 128.7, 127.6, 127.5, 126.3 (2C), 124.2,123.4, 110.6; HRMS calcd for C17H13N4S2 [MH] 337.0582, found337.0596. |
Tags: 2602-85-9 synthesis path| 2602-85-9 SDS| 2602-85-9 COA| 2602-85-9 purity| 2602-85-9 application| 2602-85-9 NMR| 2602-85-9 COA| 2602-85-9 structure
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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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