Basic information
- CAS
230295-11-1- Standard SMILES
Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)Cl)s1- InChIKey
FTIBGHOWVJVQPO-UHFFFAOYSA-N- Molecular formula
- C9H6ClF3N2O2S2
- Average molar mass
- 330.7 g/mol
- Monoisotopic mass
- 329.95113177
Names & identifiers
- Preferred name
- 5-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride
- IUPAC
- 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonyl chloride
- English name
- 5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene2-sulfonyl chloride
- Molecular formula
- C9H6ClF3N2O2S2
- Molecular weight
- 330.73
Names & synonyms
230295-11-15-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene2-sulfonyl chloride5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl ChlorideMFCD008308115-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulphonyl chlorideSCHEMBL3019078DTXSID90379651AKOS005258625BP-10377PS-10829
Show more names
BUTTPARK 29\06-135-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-sulf5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenesulfonyl chloride5-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]THIOPHENE-2-SULPHONYL CHLORIDE5-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-YL]-THIOPHENE-2-SULFONYL CHLORIDE5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulphonylchloride97%2-(Chlorosulphonyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- form
- crystalline solid
- color
- White
- Sensitive
- Stench
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P301+P330+P331-P305+P351+P338-P310
- Hazard Codes
- C,Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Corrosive/Stench
- HazardClass
- MOISTURE SENSITIVE, CORROSIVE
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- risk_code
- 36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Stench
- safety_code
- 26
- hazard_class
- MOISTURE SENSITIVE, CORROSIVE
- Hazard statements
- H314-H318
- Precautionary statements
- P280-P301+P330+P331-P305+P351+P338-P310
Chemistry & industry
Applications
Uses5-[1-Methyl-3-(trifluoromethyl)pyrazole-5-yl]-thiophene-2-sulfonyl Chloride (CAS# 230295-11-1) can be used as a beta-3 adrenergic receptor molecule. It can also be used to treat neurodegenerative diseases.
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
3 records
Compound notes
Loading…