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[ CAS No. 127817-85-0 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 127817-85-0

Chemical Structure| 127817-85-0

Chemical Structure| 127817-85-0

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Quality Control of [ 127817-85-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 127817-85-0 ]

CAS No. :	127817-85-0	MDL No. :	MFCD01091013
Formula :	C₉H₇F₃O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MLCRFQSWSHKLDP-UHFFFAOYSA-N
M.W :	220.15	Pubchem ID :	2775294
Synonyms :

Calculated chemistry of [ 127817-85-0 ] Expand+

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	3
Num. H-bond acceptors :	6.0
Num. H-bond donors :	1.0
Molar Refractivity :	44.9
TPSA :	46.53 Å²

Pharmacokinetics

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) :	-6.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.52
Log Po/w (XLOGP3) :	2.3
Log Po/w (WLOGP) :	3.56
Log Po/w (MLOGP) :	2.36
Log Po/w (SILICOS-IT) :	2.29
Consensus Log Po/w :	2.41

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.75
Solubility :	0.39 mg/ml ; 0.00177 mol/l
Class :	Soluble
Log S (Ali) :	-2.92
Solubility :	0.268 mg/ml ; 0.00122 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.79
Solubility :	0.355 mg/ml ; 0.00161 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.61

Safety of [ 127817-85-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 127817-85-0 ]

* 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.

Upstream synthesis route of [ 127817-85-0 ]
Downstream synthetic route of [ 127817-85-0 ]

[ 127817-85-0 ] Synthesis Path-Upstream 1~2

1
[ 127817-85-0 ]
[ 320-32-1 ]

Reference： [1] Patent: US5183934, 1993, A,
[2] Patent: EP423991, 1991, A2,

2
[ 127817-85-0 ]
[ 400-72-6 ]

Reference： [1] Chemical Science, 2018, vol. 9, # 15, p. 3860 - 3865

[ 127817-85-0 ] Synthesis Path-Downstream 1~12

1
[ 124-38-9 ]
[ 454-90-0 ]
[ 127817-85-0 ]

Reference： [1]Archiv der Pharmazie,1990,vol. 323,p. 73 - 78

2
[ 127817-85-0 ]
[ 98187-17-8 ]

Yield	Reaction Conditions	Operation in experiment
83%	With thionyl chloride Heating;
	With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1h;	5 Compound 1 (4-methoxy-2-(trifluoromethyl)benzoic acid) (0.50 g) was dissolved in dichloromethane (10 mL),and oxalyl chloride (0.40 mL) was added dropwise. To this was added N,N-dimethylformamide (5 drops), and the mixturewas stirred at room temperature for 1 hour. After the reaction solution was concentrated under reduced pressure,acetonitrile (10 mL) was added. A 2M trimethylsilyldiazomethane-n-hexane solution (2.4 mL) was added dropwise underice cooling, and the mixture was stirred at room temperature for 1 hour. The reaction solution was ice-cooled, a 48%hydrobromic acid (0.39 mL) was added dropwise, and the mixture was stirred for 1 hour. Ethyl acetate and a saturatedaqueous sodium hydrogen carbonate solution were added to the reaction solution to carry out a liquid separation. Theorganic layer was separated and dried over anhydrous sodium sulfate, and subsequently the solvent was distilled offunder reduced pressure. The obtained residue was purified by silica gel column chromatography (n-hexane:ethyl acetate= 98:2 to 92:8) to obtain Compound 2 (0.44 g).MS (m/z): 297/299 [M+H]+
	With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 20℃; Inert atmosphere;	2 General procedure for the preparation of acid chlorides 32-42 General procedure: Under inert atmosphere, a mixture of carboxylic acid 21-31 ( Scheme 1 ) (1 equiv), thionyl chloride (1.5 equiv) and DMF (3-5 drops) in dichloromethane was stirred at rt until the complete consumption of the carboxylic acid (1H NMR control). The pale yellow solution was concentrated in vacuo to give the crude acid chloride 32-42 ( Scheme 1 ) as a yellow pale solid in quantitative yield

Reference： [1]Hartmann; Vom Orde; Schonenberger [Archiv der Pharmazie, 1990, vol. 323, # 2, p. 73 - 78]
[2]Current Patent Assignee: MITSUBISHI CHEMICAL HOLDINGS CORPORATION - EP2862856, 2015, A1 Location in patent: Paragraph 1224
[3]Ghinet, Alina; Moise, Iuliana-Monica; Rigo, Benoît; Homerin, Germain; Farce, Amaury; Dubois, Joëlle; Bîcu, Elena [Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 10, p. 2307 - 2317]

3
[ 127817-85-0 ]
[ 127817-97-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 83 percent / SOCl₂ / Heating 2: 53 percent / K₂CO₃ / 2 h / 80 °C 3: 50 percent / BBr₃ / CH₂Cl₂ / 1) 30 min, -60 deg C 2) 4h, room temperature

Reference： [1]Hartmann; Vom Orde; Schonenberger [Archiv der Pharmazie, 1990, vol. 323, # 2, p. 73 - 78]

4
[ 127817-85-0 ]
[ 127817-92-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 83 percent / SOCl₂ / Heating 2: 53 percent / K₂CO₃ / 2 h / 80 °C

Reference： [1]Hartmann; Vom Orde; Schonenberger [Archiv der Pharmazie, 1990, vol. 323, # 2, p. 73 - 78]

5
[ 124-38-9 ]
[ 400-72-6 ]
[ 127817-85-0 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In tetrahydrofuran	3 3. 3. Preparation of 2-trifluoromethyl-4-methoxybenzoic acid (compound IV) Dry tetrahydrofuran (10 ml) was added to 3-trifluoromethyl-4-bromo-1-methoxybenzene (compound III) (4.4 g) and metallic magnesium (0.41 g) and thereto was further added a catalytic amount of iodine, followed by refluxing for 1.5 hours with stirring. After the temperature was returned to room temperature, to the mixture was slowly added dropwise a solution prepared by adding dry ice (30 g) to dry tetrahydrofuran (10 ml) at -40° C. or lower. The temperature was returned to room temperature and then the reaction was allowed to proceed for further 2 hours. Then, the reaction mixture was added to 1N hydrochloric acid (50 ml) to stop the reaction and repeatedly extracted with ethyl acetate. The ethyl acetate layer was sufficiently washed with water and dried by adding anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure and then, the resulting solid was recrystallized from methylene chloride to obtain 2-trifluoromethyl-4-methoxybenzoic acid (compound IV, 1.5 g).
	With hydrogenchloride In tetrahydrofuran	3 3. 3. Preparation of 2-trifluoromethyl-4-methoxybenzoic acid (compound IV): Dry tetrahydrofuran (10 ml) was added to 3-trifluoromethyl-4-bromo-1-methoxybenzene (compound III) (4.4 g) and metallic magnesium (0.41 g) and thereto was further added a catalytic amount of iodine, followed by refluxing for 1.5 hours with stirring. After the temperature was returned to room temperature, to the mixture was slowly added dropwise a solution prepared by adding dry ice (30 g) to dry tetrahydrofuran (10 ml) at -40 °C or lower. The temperature was returned to room temperature and then the reaction was allowed to proceed for further 2 hours. Then, the reaction mixture was added to 1N hydrochloric acid (50 ml) to stop the reaction and repeatedly extracted with ethyl acetate. The ethyl acetate layer was sufficiently washed with water and dried by adding anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure and then, the resulting solid was recrystallized from methylene chloride to obtain 2-trifluoromethyl-4-methoxybenzoic acid (compound IV, 1.5 g).

Reference： [1]Current Patent Assignee: IDEMITSU KOSAN CO LTD - US5183934, 1993, A
[2]Current Patent Assignee: IDEMITSU KOSAN CO LTD - EP423991, 1991, A2

6
[ 127817-85-0 ]
[ 320-32-1 ]

Yield	Reaction Conditions	Operation in experiment
	With boron tribromide; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane;	4. Preparation of 2-trifluoromethyl-4-hydroxybenzoic acid (compound V) A solution prepared by dissolving 2-trifluromethyl-4-methoxybenzoic acid (compound IV) (1.0 g) in methylene chloride (10 ml) was slowly added dropwise to a solution prepared by dissolving boron tribromide (2.5 g) in methylene chloride (10 ml) at 30 C. or lower with stirring, followed by stirring for further 20 minutes. This solution was added to ice water (50 g) and then repeatedly extracted with ethyl ether. The ethyl ether layer was washed with water and dried by adding anhydrous sodium sulfate and the solvent was distilled off to obtain a crude product. This was recrystallized from toluene to obtain 2-trifluoromethyl-4-hydroxybenzoic acid (compound V, 0.5 g).
	With boron tribromide; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane;	4. Preparation of 2-trifluoromethyl-4-hydroxybenzoic acid (compound V): A solution prepared by dissolving 2-trifluromethyl-4-methoxybenzoic acid (compound IV) (1.0 g) in methylene chloride (10 ml) was slowly added dropwise to a solution prepared by dissolving boron tribromide (2.5 g) in methylene chloride (10 ml) at 30 C or lower with stirring, followed by stirring for further 20 minutes. This solution was added to ice water (50 g) and then repeatedly extracted with ethyl ether. The ethyl ether layer was washed with water and dried by adding anhydrous sodium sulfate and the solvent was distilled off to obtain a crude product. This was recrystallized from toluene to obtain 2-trifluoromethyl-4-hydroxybenzoic acid (compound V, 0.5 g).

Reference： [1]Patent: US5183934,1993,A
[2]Patent: EP423991,1991,A2

7
[ 127817-85-0 ]
C₁₀H₈BrF₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C 2.1: hexane; acetonitrile / 1 h / 20 °C / Cooling with ice 2.2: 1 h / Cooling with ice

Reference： [1]Current Patent Assignee: MITSUBISHI CHEMICAL HOLDINGS CORPORATION - EP2862856, 2015, A1

8
[ 127817-85-0 ]
10-[4-methoxy-2-(trifluoromethyl)benzoyl]-10H-phenothiazine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: thionyl chloride / N,N-dimethyl-formamide; dichloromethane / 20 °C / Inert atmosphere 2: toluene / 90 °C / Inert atmosphere

Reference： [1]Ghinet, Alina; Moise, Iuliana-Monica; Rigo, Benoît; Homerin, Germain; Farce, Amaury; Dubois, Joëlle; Bîcu, Elena [Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 10, p. 2307 - 2317]

9
[ 127817-85-0 ]
C₉H₆ClF₃O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride for 4h; Reflux;	4-methoxy-2-trifluoromethylbenzoic acid (0.50g, 2.27mmol) and was a stirred mixture of thionyl chloride (9 ml) was heated for 4 hours under reflux. After cooling to room temperature, the excess reagent was removed under reduced pressure to give the crude acid chloride. The crude chloride 4-Methoxy-5-trifluoromethyl-benzoyl and 2- (4-aminophenyl) -6-methoxy benzothiazole (0.58 g, 2.27 mmol) was used in dry pyridine (15 ml) and amide the amide prepared as described in the section of the coupling, after recrystallization from workup and acetic acid, the title compound (0.478g, 46%) was obtained as needle-like crystals of pale yellow.

Reference： [1]Current Patent Assignee: TAURX PHARMACEUTICALS LTD - JP5667058, 2015, B2 Location in patent: Paragraph 0536

10
(S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate [ No CAS ]
[ 127817-85-0 ]
(S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((4-methoxy-2-(trifluoromethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With 4-methyl-morpholine; HATU In N,N-dimethyl-formamide; acetonitrile at 50℃; for 18h;	150 INTERMEDIATE 150: (S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1 -(N-((4-methoxy-2- (trifluoromethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan- 2-yl)benzamido)succinate INTERMEDIATE 150: (S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1 -(N-((4-methoxy-2- (trifluoromethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan- 2-yl)benzamido)succinate To a solution containing (S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N- hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate (83.1 mg, 0.102 mmol), 4-methoxy-2-(trifluoromethyl)benzoic acid (27.0 mg, 0.123 mmol), and HATU (58.3 mg, 0.153 mmol) in MeCN (0.5 ml_) and DMF (0.5 ml_) at RT was added N- methylmorpholine (0.034 ml_, 0.307 mmol). The reaction was stirred at 50 °C for 18 h. The mixture was partitioned between EtOAc and water, and the organic layer was washed with brine. It was then dried over MgS0 , filtered, and concentrated. Purification by Si (0-100% EtOAc/Hex) afforded the title compound as a colorless solid. (81 mg, 78% yield). MS (m/z) 1015.5 (M+H)+

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2017/6296, 2017, A1 Location in patent: Page/Page column 215

11
[ 127817-85-0 ]
[ 400-72-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	With potassium phosphate; tetrabuthylammonium tribromide In acetonitrile at 100℃; for 16h;

Reference： [1]Quibell, Jacob M.; Perry, Gregory J. P.; Cannas, Diego M.; Larrosa, Igor [Chemical Science, 2018, vol. 9, # 15, p. 3860 - 3865]

12
2,2′,3,3′,4,4′-hexa-O-trimethylsilyl-α,α′-D-trehalose [ No CAS ]
[ 127817-85-0 ]
C₄₈H₈₀F₆O₁₅Si₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap In dichloromethane at 0 - 20℃;	4.1 General procedure for esterification via carbodiimide mediated coupling General procedure: To a stirred mixture of 2,2′,3,3′,4,4′-Hexa-trimethylsilyl-α,α-d-trehalose (1 equiv.; 1mmol), aryl carboxylic acid (2.2 equiv.; 2.2mmol) and DMAP (3 equiv.; 3mmol) in anhydrous DCM (10mL) was added DCC (3 equiv.; 3mmol) or EDCI-MeI (5 equiv.; 5mmol) at 0°C for 30min and then at room temperature overnight. The reaction mixture was diluted with water and then extracted it with DCM. The combined organic layer was dried over MgSO4 and reduced in vacuo. The crude mixture was subjected to chromatography using the Biotage system with a 12g silica column and a zero to 20% ethyl acetate in heptane gradient. This yielded the silyl intermediate in good to excellent yields.

Reference： [1]Rasheed, Omer K.; Ettenger, George; Buhl, Cassandra; Child, Robert; Miller, Shannon M.; Evans, Jay T.; Ryter, Kendal T. [Bioorganic and Medicinal Chemistry, 2020, vol. 28, # 14]

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Technical Information

• Acetal Formation • Acidity of Phenols • Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Chloride Hydrolysis • Alkyl Halide Occurrence • Amide Hydrolysis • Amide Hydrolysis • An Alkane are Prepared from an Haloalkane • Anhydride Hydrolysis • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Birch Reduction of Benzene • Blanc Chloromethylation • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Chan-Lam Coupling Reaction • Complete Benzylic Oxidations of Alkyl Chains • Complete Benzylic Oxidations of Alkyl Chains • Conjugate Additions of p-Benzoquinones • Conversion of Amino with Nitro • Decarboxylation of Substituted Propanedioic • Decomposition of Arenediazonium Salts to Give Phenols • Deprotection of Cbz-Amino Acids • Deprotonation of Methylbenzene • Diazo Coupling • Directing Electron-Donating Effects of Alkyl • Electrophilic Chloromethylation of Polystyrene • Electrophilic Substitution of the Phenol Aromatic Ring • Esters Are Reduced by LiAlH4 to Give Alcohols • Esters Hydrolyze to Carboxylic Acids and Alcohols • Ether Synthesis by Oxymercuration-Demercuration • Etherification Reaction of Phenolic Hydroxyl Group • Ethers Synthesis from Alcohols with Strong Acids • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Acyl Chlorides • Friedel-Crafts Alkylation of Benzene with Carboxylic Anhydrides • Friedel-Crafts Alkylation of Benzene with Haloalkanes • Friedel-Crafts Alkylation Using Alkenes • Friedel-Crafts Alkylations of Benzene Using Alkenes • Friedel-Crafts Alkylations Using Alcohols • Friedel-Crafts Reaction • Grignard Reagents Transform Esters into Alcohols • Groups that Withdraw Electrons Inductively Are Deactivating and Meta Directing • Halogenation of Benzene • Halogenation of Phenols • Hunsdiecker-Borodin Reaction • Hydrogenation to Cyclohexane • Hydrogenolysis of Benzyl Ether • Kolbe-Schmitt Reaction • Nitration of Benzene • Nitriles Hydrolyze to Carboxylic Acids • Nomenclature of Ethers • Nucleophilic Aromatic Substitution • Nucleophilic Aromatic Substitution with Amine • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Alkyl-substituted Benzenes Gives Aromatic Ketones • Oxidation of Phenols • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Pechmann Coumarin Synthesis • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Preparation of Ethers • Primary Ether Cleavage with Strong Nucleophilic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions of Ethers • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reductive Removal of a Diazonium Group • Reimer-Tiemann Reaction • Reverse Sulfonation——Hydrolysis • Ring Opening of Oxacyclopropane • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Sulfonation of Benzene • Synthesis of Alcohols from Tertiary Ethers • The Acylium Ion Attack Benzene to Form Phenyl Ketones • The Claisen Rearrangement • The Conversion of Carboxylic Acids into Acyl Halides • The Nitro Group Conver to the Amino Function • The Nucleophilic Opening of Oxacyclopropanes • Ugi Reaction • Vilsmeier-Haack Reaction

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P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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

Ghs Hazard Statements

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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