Basic information
- CAS
954377-22-1- Standard SMILES
O=S(=O)(Cl)c1ccc(C(F)(F)F)s1- InChIKey
PWVUZSSHOGAMPC-UHFFFAOYSA-N- Molecular formula
- C5H2ClF3O2S2
- Average molar mass
- 250.6 g/mol
- Monoisotopic mass
- 249.9136838
Names & identifiers
- Preferred name
- 5-(Trifluoromethyl)thiophene-2-sulfonyl chloride
- IUPAC
- 5-(trifluoromethyl)thiophene-2-sulfonyl chloride
- English name
- 5-(Trifluoromethyl)thiophene-2-sulfonyl chloride
- Molecular formula
- C5H2ClF3O2S2
- Molecular weight
- 250.65
Names & synonyms
5-(trifluoromethyl)thiophene-2-sulfonyl chloride954377-22-1RefChem:531818825-181-0MFCD27934701C5H2ClF3O2S25-(trifluoromethyl)-2-thiophenesulfonyl chlorideSCHEMBL1085740ENB37722AKOS037630297BS-53011SY202309
Show more names
uoromethyl)thiophene-2-sulfonyl chloride5-(Trifluoromethyl)thien-2-sulfonyl chloride2-Thiophenesulfonyl chloride, 5-(trifluoromethyl)-5-(trifluoromethyl)Thien-2-sulfonyl chloride5-(trifluoromethyl)thiophene-2-sulfonyl chloride
DB-185446CS-01394975-trifluoromethyl-thiophene-2-sulfonylchloride5-(trifluoromethyl)thiophene-2-sulfonylchlorideEN300-215526F621585
Database identifiers
- CAS
954377-22-1- PubChem CID
- 86636902
- EC Number
- 825-181-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 269.7 · 269.7±40.0 °C(Predicted)
- Density
- 1.681 · 1.681±0.06 g/cm3(Predicted)
- solubility
- Acetonitrile (Sparingly), Chloroform (Sparingly)
- form
- Oil
- color
- Colourless
- Stability
- Hygroscopic, Moisture Sensitive
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
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]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, 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%)；Skin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H314-H302
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
1 records
Compound notes
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