4,5-Dibromothiophene-2-sulfonyl chloride

HCID 522755CAS 81606-31-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(Cl)c1cc(Br)c(Br)s1
InChIKey: WJYGHWXWQSCONR-UHFFFAOYSA-N
Molecular formula: C4HBr2ClO2S2
Average molar mass: 340.4 g/mol
Monoisotopic mass: 337.74732315

Names & identifiers

Preferred name: 4,5-Dibromothiophene-2-sulfonyl chloride
IUPAC: 4,5-dibromothiophene-2-sulfonyl chloride
English name: 4,5-Dibromothiophene-2-sulphonyl chloride
Molecular formula: C4HBr2ClO2S2
Molecular weight: 340.44

Names & synonyms

4,5-Dibromothiophene-2-sulfonyl chloride81606-31-72,3-Dibromothiophene-5-sulfonyl chlorideDTXSID90335055RefChem:285282DTXCID40286144WJYGHWXWQSCONR-UHFFFAOYSA-N4,5-Dibromothiophene-2-sulphonyl chlorideMFCD000414392-Thiophenesulfonyl chloride, 4,5-dibromo-SCHEMBL630120ALBB-006184

Show more names

BUTTPARK 93\50-572,3-Dibromothiophene-5-sulfonylchloride5-(Chlorosulphonyl)-2,3-dibromothiophene4,5-Dibromo-2-thiophenesulfonyl chloride2,3-Dibromothiophene-5-sulphonyl chloride4,5-Dibromothiophene-2-sulfonyl chloride,97%4,5-Dibromothiophene-2-sulfonic acid chloride

AKOS015834570(4,5-dibromo(2-thienyl))chlorosulfone4,5-Dibromothiophene-2-sulfonylchloridePS-10826SY0787694,5-dibromo-thiophene-2-sulfonyl chlorideDB-0565434,5-Dibromo-2-thiophenesulfonyl chloride #

Database identifiers

CAS: 81606-31-7
PubChem CID: 522755
DTXSID: DTXSID90335055
EC Number: 679-307-2
Nikkaji: J364.637H

Properties

Computed structural properties

XLogP: 3.7
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: 237

Physicochemical properties

Melting point: 71 · 71-75 °C
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: powder
color: Brown
Sensitive: Moisture Sensitive
BRN: 162960 · 162960
CAS DataBase Reference: 81606 · 81606-31-7(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,3-Dibromothiophene-5-sulfonyl chloride(81606-31-7)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 45 · 45-36/37/39-26
RIDADR: 3261 · 3261
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29349990 · 29349990

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3261
hs_code: 29349990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a