Basic information
- CAS
166964-31-4- Standard SMILES
Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F- InChIKey
BWVNHXIGDZASCP-UHFFFAOYSA-N- Molecular formula
- C9H6ClF3N2O2S2
- Average molar mass
- 330.7 g/mol
- Monoisotopic mass
- 329.95113177
Names & identifiers
- Preferred name
- 5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
- IUPAC
- 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
- English name
- 2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-sulfonyl chloride
- Molecular formula
- C9H6ClF3N2O2S2
- Molecular weight
- 330.74
Names & synonyms
166964-31-45-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-sulfonyl chloride5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-sulfonyl chloride5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl ChlorideMFCD000522832-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphonyl chloride5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulphonyl chloride5-(1-methyl-5-trifluoromethyl-1h-pyrazol-3-yl)-thiophene-2-sulfonyl chloride2-[1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl]thiophene-5-sulphonyl chlorideSCHEMBL3010846DTXSID30379650
Show more names
5-[1-MethBUTTPARK 37\04-092-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphony5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulf5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenesulfonamide
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
- 77 · 77-80°C
- Boiling point
- 421.2 · 421.2±45.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.23 · -2.23±0.10(Predicted)
- form
- crystalline powder
- color
- White
- Sensitive
- Stench
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 271 · P271-P260-P280
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3261 · 3261
- Hazard Note
- Corrosive/Stench
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Stench
- safety_code
- 26-36/37/39
- hazard_class
- CORROSIVE
- Hazard statements
- H314
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Related reactions
2 records
Compound notes
Loading…