CAS 97272-04-3 2,5-dimethylthiophene-3-sulfonyl Chloride (HCID 2779650)

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Basic information

CAS: 97272-04-3
Standard SMILES: Cc1cc(S(=O)(=O)Cl)c(C)s1
InChIKey: CMTPCYKEUFDVAU-UHFFFAOYSA-N
Molecular formula: C6H7ClO2S2
Average molar mass: 210.7 g/mol
Monoisotopic mass: 209.95759914

Names & identifiers

Preferred name: 2,5-dimethylthiophene-3-sulfonyl Chloride
IUPAC: 2,5-dimethylthiophene-3-sulfonyl chloride
English name: 2,5-Dimethyl-3-thiophenesulfonyl chloride
Molecular formula: C6H7ClO2S2
Molecular weight: 210.7

Names & synonyms

2,5-dimethylthiophene-3-sulfonyl Chloride97272-04-3DTXSID20381484RefChem:247639DTXCID90332509851-768-62,5-DIMETHYL-3-THIOPHENESULFONYL CHLORIDE2,5-Dimethylthiophene-3-sulphonyl chlorideMFCD03086201chembrdg-bb 40095942,5-dimethylthiophene-3-sulfonylChloride3-thiophenesulfonylchloride,2,5-dimethyl-(9ci)

Show more names

3-Thiophenesulfonyl chloride, 2,5-dimethyl-2,5-Dimethyl-3-thiathiophenesulfonyl chloride2,5-DIMETHYL-3-THIOPHENESULFONYL CHLORIDE ISO 9001：2015 REACH

SCHEMBL3925782,5-dimethylthiophene-3-sulfonyl chloride(saltdata: free)BUTTPARK 96\50-20CMTPCYKEUFDVAU-UHFFFAOYSA-NXDA27204SBB094420AKOS000123015AT16950

Database identifiers

CAS: 97272-04-3
PubChem CID: 2779650
DTXSID: DTXSID20381484
EC Number: 851-768-6

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 231

Physicochemical properties

Melting point: 120 · 120-122
Boiling point: 120 °C · 120 °C
Density: 1.422 · 1.422
storage temp.: 2 · 2-8°C
form: low melting solid
color: Brown
InChI: InChI=1S/C6H7ClO2S2/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKey: CMTPCYKEUFDVAU-UHFFFAOYSA-N
SMILES: C1(C)SC(C)=CC=1S(Cl)(=O)=O
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Hazard Codes: C,Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26

Safety & regulation

GHS classification

GHS Classification · 4 items

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

hs_code: 2934999090
risk_code: 36
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501