[ CAS No. 942853-22-7 ] {[proInfo.proName]}

Name: 942853-22-7|1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid|95%
Brand: Ambeed
SKU: A225630
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Quality Control of [ 942853-22-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 942853-22-7 ]

Product Details of [ 942853-22-7 ]

CAS No. :	942853-22-7	MDL No. :	MFCD08556202
Formula :	C₆H₅F₃N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OJXAMYQOVDVCHO-UHFFFAOYSA-N
M.W :	194.11	Pubchem ID :	16490806
Synonyms :

Calculated chemistry of [ 942853-22-7 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.33
Num. rotatable bonds :	3
Num. H-bond acceptors :	6.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.45
TPSA :	55.12 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.76
Log Po/w (XLOGP3) :	1.14
Log Po/w (WLOGP) :	2.4
Log Po/w (MLOGP) :	0.5
Log Po/w (SILICOS-IT) :	0.69
Consensus Log Po/w :	1.1

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.85
Solubility :	2.75 mg/ml ; 0.0142 mol/l
Class :	Very soluble
Log S (Ali) :	-1.89
Solubility :	2.49 mg/ml ; 0.0128 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.08
Solubility :	16.2 mg/ml ; 0.0836 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.77

Safety of [ 942853-22-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 942853-22-7 ]

* 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.

Downstream synthetic route of [ 942853-22-7 ]

[ 942853-22-7 ] Synthesis Path-Downstream 1~8

1
[ 942853-22-7 ]
[ 1309889-07-3 ]
[ 1309952-08-6 ]

Yield	Reaction Conditions	Operation in experiment
	With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In N,N-dimethyl-formamide; at 20.0℃; for 3h;	The crude intermediate Da is dissolved in DMF (5 mL) along with TEA (0.18 mL, 1.25 mmol, 5 equiv), 1-(2,2,2-trifluoro-ethyl)-1 H-pyrazole-3-carboxylic acid R2f (58 mg, 0.30 mmol, 1.2 equiv) and TBTU (121 mg, 0.38 mmol, 1.5 equiv). Upon stirring at RT for 3 h, H20 and EtOAc are added. The layers are separated and the aqueous phase is extracted with EtOAc (2x). The organics are combined and dried by passing through an 1ST separator cartridge, and then concentrated. The mixture is purified by Combiflash (12 g column, eluent: Hex / EtOAc, 20% to 100% gradient). A second purification by Combiflash is performed (12 g column, eluent: Hex / EtOAc, 60% isocratic). The pure fractions are combined and concentrated. The product is then re-dissolved in acetonitrile and filtered through a Millex filter, frozen and lyophilized to provide compound 1012.UPLC-MS (electrospray): 874.4 (M+H), 872.5 (M-H)Retention time (min): 6.0 min1H NMR (400 MHz, DMSO-d6): delta 1 .05 (s, 1 H), 8.79 (s, 1 H), 7.97 (d, J = 7.0 Hz,1 H), 7.93 (d, J = 2.4 Hz, 1 H), 7.84 (d, J = 9.0 Hz, 1 H), 7.07 (d, J = 9.0 Hz, 1 H), 6.76 (d, J= 2.4 Hz, 1H), 6.36 (s, 1H), 5.65-5.58 (m, 1H), 5.49 (S, J= 6.0 Hz, 1H), 5.44 (bs, 1H), 5.23 (q, J= 9.0 Hz, 1H), 5.14 (dd, J= 9.4, 9.8 Hz, 1H), 4.62-4.59 (m, 1H), 4.53 (d, J= 11.6 Hz, 1H), 4.36 (dd, J= 7.0, 9.8 Hz, 1H), 4.00 (dd, J = 3.3, 11.6 Hz, 1H), 3.87 (s, 3H), 2.95-2.88 (m, 1H), 2.63-2.55 (m, 2H), 2.43 (s, 3H), 2.38-2.28 (m, 2H), 2.00-1.91 (m, 1 H), 1.83-1.73 (m, 1 H), 1.59-1.52 (m, 3H), 1.48-1.22 (m, 7H), 1.39 (d, J = 5.9 Hz, 3H), 1.38 (d, J = 5.9 Hz, 3H), 1.11-0.98 (m, 4H).

Reference： [1]Patent: WO2011/63501,2011,A1 .Location in patent: Page/Page column 64-65

2
[ 942853-22-7 ]
[ 1309889-11-9 ]
[ 1309952-22-4 ]

Yield	Reaction Conditions	Operation in experiment
		Acid R2f (17.0 mg; 0.088 mmol, 1.2 equiv) is dissolved in DMF (1 mL) and TEA (40.7 mu; 0.292 mmol, 4.00 equiv) and TBTU (27.0 mg; 0.088 mmol, 1.20 equiv) are added and the mixture is stirred for 15 mins. The Boc de-protected macrocyclic amine hydrochloride Cc (50 mg, 0.075 mmol) is dissolved in DMF (1.0 mL) and added to the acid solution. The reaction is stirred at RT overnight. The resulting solution is filtered through a Millex filter and purified by prep HPLC (ammonium bicarbonate/MeOH) The pure fractions are combined, concentrated, frozen and lyophilized to provide compound 1026. FIA M.S.(electrospray) : 890.4 (M-H)- , 892.4 (M+H)+ Retention time (min): 6.0 min1H NMR (400 MHz,DMSO-d6): delta 10.81 (s, 1 H) , 8.88 (s, 1 H), 7.99 (d, 1 H, J = 6.3Hz), 7.95 (d, 1 H, J = 2.4 Hz), 7.80 (d, 1 H, J = 12.1 Hz), 7.24 (d, 1 H, J = 8.3Hz), 6.73 (d 1 H, J = 2.3 Hz), 6.46 (s, 1 H), 5.75-5.55 (m, 1 H), 5.50-5.45 (p, 1 H, J = 6.2 Hz), 5.45 (bs,1 H), 5.24-5.18 (m, 2H), 5.09-5.04 (m, 1 H), 4.61 (d, 1 H, J = 10.9Hz), 4.51 (m, 1 H), 4.38 (dd, 1 H, J = 7.0Hz, J = 9.4Hz), 3.95 (s, 3H), 2.67-2.59 (m, 2H), 2.34-2.29 (m, 2H), 2.03-1.91 (m, 1 H), 1.77-1.76 (m, 1 H), 1 .58-1.24(m, 21 H), 0.89-0.84 (m, 2H).

Reference： [1]Patent: WO2011/63501,2011,A1 .Location in patent: Page/Page column 73-74

3
[ 942853-22-7 ]
[ 1309888-83-2 ]
[ 1309952-01-9 ]

Yield	Reaction Conditions	Operation in experiment
		Acid R2f (12 mg, 0.064 mmol, 1.3 equiv) is dissolved in DMF (0.5 mL), then TEA (34 mu, 0.25 mmol, 5.0 equiv) is added followed by TBTU (22 mg, 0.059 mmol, 1.2 equiv). The solution is stirred for 15 mins, after which the amine hydrochloride Ca is added in DMF (0.5 mL). The resulting solution is stirred at RT for 16 h. Water (2 mL) is added and the organic layer is extracted with EtOAc (3 x 5 mL). The solvent is evaporated and purification is performed by prep HPLC (MeCN:H20, 0.1 % TFA). The pure fractions are combined, concentrated, frozen and lyophilized to provide compound 1005. FIA M.S.(electrospray) : 888.5 (M+H)+ Retention time (min): 6.1 min1H NMR (400 MHz,DMSO-d6): delta 10.80 (s, 1 H) , 8.93 (s, 1 H), 7.95-7.90 (m, 2H), 7.84 (d, 1 H, J = 8.9 Hz), 7.07 (d, 1 H, J = 8.9 Hz), 6.75 (d, 1 H, J = 2.7 Hz), 6.37 (s, 1 H), 5.67-5.59 (m, 1 H), 5.55-5.44 (m, 2H), 5.27-5.18 (q, 2H, J = 9.2 Hz), 5.07 (dd, 1 H, J = 9.5, 9.0 Hz), 4.65-4.59 (m, 1 H) 4.53 (d, 1 H, J = 1 1.5 Hz), 4.43 (dd, 1 H, J = 9.6, 7.1 Hz), 4.03 (dd, 1 H, J = 1 1.8, 3.7 Hz), 3.88 (s, 3H), 2.66-2.57 (m, 1 H), 2.44 (s, 3H), 2.40-2.29 (m, 2H), 2.04-1.92 (m, 1 H), 1.89-1.78 (m, 1 H), 1.63-1.49, (m, 3H), 1.47- 1.36 (m, 14H), 1.34-1.20 (m, 4H), 0.93-0.84 (m, 2H).

Reference： [1]Patent: WO2011/63501,2011,A1 .Location in patent: Page/Page column 55-56

4
[ 942853-22-7 ]
[ 1309889-15-3 ]
[ 1309889-52-8 ]

Yield	Reaction Conditions	Operation in experiment
		Compound 1029; Starting material Ai (45 mg, 0.056 mmol) is dissolved in 4 N HCI/dioxane and the reaction mixture is for 1 h at RT. The reaction mixture is concentrated in vacuo to give crude Ci. The acid R2i is dissolved in DMF (2.0 mL), DIPEA (0.059 mL, 0.338 mmol) and TBTU (21 .7 mg, 0.068 mmol) are added. The reaction mixture is stirred for 15 mins. The crude Ci is added and the reaction mixture is stirred at RT for 16 h. The reaction mixture is purified by prep HPLC to provide compound 1029. FIA M.S.(electrospray) : 874.4 (M+H)+ Retention time (min) = 6.0 min1H NMR (400 MHz,DMSO-d6): delta 10.83 (s, 1 H) , 8.92 (s, 1 H), 7.95 (b, 1 H), 7.93 (d, 1 H, J = 2.3 Hz), 7.86 (d, 1 H, J = 9.0 Hz), 7.08 (d, 1 H, J = 9.4 Hz), 6.74 (d, 1 H, J = 2.3 Hz), 6.40 (s, 1 H), 5.60 (b, 1 H), 5.44 (m, 1 H), 5.23 (q, 2H, J = 9.3 Hz), 5.09 (b, 1 H), 4.63 (b, 1 H), 4.47 (q, 2H, J = 6.9 Hz), 4.43 (b, 2H), 4.04 (b, 1 H), 3.87 (s, 3H), 2.67-2.65 (m, 1 H), 2.43 (s, 3H), 2.38-2.32 (m, 3H), 2.01 -1 .80 (m, 2H), 1 .58-1 .51 (m, 3H), 1 .44-1 .23 (m, 1 1 H), 1 .39 (t, 3H, J = 7.0 Hz), 0.85 (b, 2H).

Reference： [1]Patent: WO2011/63502,2011,A1 .Location in patent: Page/Page column 113-114

5
[ 942853-22-7 ]
[ 1309889-19-7 ]
[ 1309889-46-0 ]

Yield	Reaction Conditions	Operation in experiment
		Intermediate Ck is prepared from Ak by treatment with 4 N HCI/dioxane for 1 h followed by concentration in vacuo. Acid R2i (12.2 mg, 0.063 mmol) is dissolved in DMF (1 ml_), then TEA (29 muIota_, 0.210 mmol) is added followed by TBTU (19.4 mg, 0.060 mmol). The solution is stirred for 15 mins, after which the amine hydrochloride Ck (40 mg, 0.053 mmol) is added in DMF (1 mL). The solution is stirred at RT for 16 h. AcOH is added and the resulting solution is filtered through a Millex filter and purified by prep HPLC (Sunfire column, 0.1% TFA). The pure fractions are combined, frozen and lyophilized to provide compound 1023.FIA M.S.(electrospray) : 900.4 (M+H)+ Retention time (min) = 6.4 min1H NMR (400 MHz,DMSO-d6): delta 10.82 (s, 1H) , 8.94 (s, 1H), 7.96 (d, 1H, J = 7.1 Hz), 7.93 (d, 1H, J = 2.3 Hz), 7.84 (d, 1H, J = 9 Hz), 7.07 (d, 1H, J = 9.4 Hz), 6.74 (d, 1 H, J = 2.3 Hz), 6.40 (s, 1 H), 5.65-5.58 (m 1 H), 5.48-5.43 (m, 1 H), 5.32 (qn, 1 H J = 7.8 Hz), 5.22 (q, 2H, J = 9 Hz), 5.06 (dd, 1H, J = 9.8, 9.4 Hz), 4.63-4.57 (m, 1H), 4.54 (d, 1H, J= 11.8), 4.41 (dd, 1H, J= 7.4, 7.0 Hz), 4.04-4.00 (m, 1H), 3.87 (s, 3H), 2.64-2.58 (m, 2H), 2.43 (s, 3H), 2.38-2.31 (m, 3H), 2.15-2.08 (m, 2H), 2.01-1.98 (m, 1H), 1.85-1.67 (m, 3H), 1.59-1.23 (m, 15H), 0.90-0.86 (m, 2H).

Reference： [1]Patent: WO2011/63502,2011,A1 .Location in patent: Page/Page column 116-117

6
[ 942853-22-7 ]
[ 1366663-05-9 ]
[ 1366660-48-1 ]

Reference： [1]Patent: WO2012/35023,2012,A1 .Location in patent: Page/Page column 91

7
[ 1245772-13-7 ]
[ 942853-22-7 ]

Yield	Reaction Conditions	Operation in experiment
69%		Example 256: 2-N-Methyl-2-N-phenyl-6-{5-[1-(2,2,2-trifluoroethyl)-1 H-pyrazol-3-yl]-1 ,2,4- oxadiazol-3-yl}-1 ,3,5-triazine-2,4-diamine (Method 12)Methyl 1-(2,2,2-trifluoroethyl)-1 H-pyrazole-3-carboxylate (Intermediate 204, 0.312 g, 1.5 mmol) was dissolved in a mixture of THF (2 mL), MeOH (2 mL) and water (1 mL); lithium hydroxide (0.188 g, 4.5 mmol) was added and the mixture was stirred at roomtemperature for 16 h. The mixture was concentrated, the residue dissolved in water (1 mL) and the mixture was neutralised. This was extracted with EtOAc (2 x 10 mL), the organic extracts were dried over sodium sulfate and concentrated under vacuum. The crude material was washed with pentane (2 x 10 mL) to afford 1-(2,2,2-trifluoroethyl)-1 H- pyrazole-3-carboxylic acid (0.200 g, 69%). 2-N-methyl-2-N-phenyl-6-{5-[1-(2,2,2- trifluoroethyl)-1 H-pyrazol-3-yl]-1 ,2,4-oxadiazol-3-yl}-1 ,3,5-triazine-2,4-diamine was then prepared from 1-(2,2,2-trifluoroethyl)-1 H-pyrazole-3-carboxylic acid (0.159 g, 0.820 mmol) and 4-amino-N-hydroxy-6-[methyl(phenyl)amino]-1 ,3,5-triazine-2- carboximidamide (prepared in an analogous manner to Intermediate 1 , 0.125 g, 0.483 mmol) according to the method described for Example 251 to afford the title compound (0.110 g, 55%).

Reference： [1]Patent: WO2012/35023,2012,A1 .Location in patent: Page/Page column 91

8
[ 942853-22-7 ]
C₃₅H₄₇N₅O₈S*ClH [ No CAS ]
C₄₁H₅₀F₃N₇O₉S [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 1770 - 1776

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Technical Information

• 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 • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Decarboxylation of Substituted Propanedioic • Deprotection of Cbz-Amino Acids • Esters Hydrolyze to Carboxylic Acids and Alcohols • 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 Haloalkanes • Hunsdiecker-Borodin Reaction • Nitriles Hydrolyze to Carboxylic Acids • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Carboxylic Acids • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • The Conversion of Carboxylic Acids into Acyl Halides • Ugi Reaction

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
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P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
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P251	Pressurized container: Do not pierce or burn, even after use.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
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P235 + P410	Keep cool. Protect from sunlight.
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Code	Phrase
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P304	IF INHALED:
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P306	IF ON CLOTHING:
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P310	Immediately call a POISON CENTER or doctor/physician.
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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.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
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P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
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P338	Remove contact lenses, if present and easy to do. Continue rinsing.
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P342	If experiencing respiratory symptoms:
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P378
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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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}

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

[ CAS No. 942853-22-7 ] {[proInfo.proName]}

Quality Control of [ 942853-22-7 ]

Related Doc. of [ 942853-22-7 ]

Product Details of [ 942853-22-7 ]

Calculated chemistry of [ 942853-22-7 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 942853-22-7 ]

Application In Synthesis of [ 942853-22-7 ]

[ 942853-22-7 ] Synthesis Path-Downstream 1~8

Technical Information

Related Functional Groups of [ 942853-22-7 ]

Fluorinated Building Blocks

Carboxylic Acids

Trifluoromethyls

Related Parent Nucleus of [ 942853-22-7 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 942853-22-7 ]

Related Parent Nucleus of
[ 942853-22-7 ]