CAS 61714-76-9 3-Methylthiophene-2-sulfonyl chloride (HCID 13425713)

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Basic information

CAS: 61714-76-9
Standard SMILES: Cc1ccsc1S(=O)(=O)Cl
InChIKey: RXFIISJOFYQYKK-UHFFFAOYSA-N
Molecular formula: C5H5ClO2S2
Average molar mass: 196.7 g/mol
Monoisotopic mass: 195.94194908

Names & identifiers

Preferred name: 3-Methylthiophene-2-sulfonyl chloride
IUPAC: 3-methylthiophene-2-sulfonyl chloride
English name: 3-methyl-2-Thiophenesulfonyl chloride
Molecular formula: C5H5ClO2S2
Molecular weight: 196.68

Names & synonyms

3-methylthiophene-2-sulfonyl chloride61714-76-9DTXSID40540455RefChem:281229DTXCID50491242825-147-53-METHYL-2-THIOPHENESULFONYL CHLORIDEMFCD098642622-Thiophenesulfonylchloride, 3-methyl-2-Thiophenesulfonyl chloride, 3-methyl-SCHEMBL2459334RXFIISJOFYQYKK-UHFFFAOYSA-N

Show more names

3-methylthiophene-2-sulfonyl chloride(SALTDATA: FREE)3-methylthiophene-2-sulfonyl chloride3-methylThien-2-sulfonyl chloride

3-methyl-2-thienylsulfonyl chloride3-methylthiophene-2-sulfonylchlorideAKOS0108675193-methyl-thiophene-2-sulfonyl chlorideBS-29045SY1229783-METHYL-2-THIOPHENESULFONYLCHLORIDECS-0037377

Database identifiers

CAS: 61714-76-9
PubChem CID: 13425713
DTXSID: DTXSID40540455
EC Number: 825-147-5
Nikkaji: J150.893H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 206

Physicochemical properties

Boiling point: 281 · 281.0±28.0 °C(Predicted)
Density: 1.491 · 1.491±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 317 · H317-H351b-H372
Precautionary statements: 201 · P201-P202-P260-P264b-P270-P272-P280g-P302+P352-P308+P313-P363-P403-P501c
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS08
Hazard statements: H317-H351b-H372
Precautionary statements: P201-P202-P260-P264b-P270-P272-P280g-P302+P352-P308+P313-P363-P403-P501c