2-Bromobenzenesulfonyl chloride (HCID 520403)

Names & identifiers

Preferred name: 2-Bromobenzenesulfonyl chloride
IUPAC: 2-bromobenzenesulfonyl chloride
English name: 2-Bromobenzenesulphonyl chloride
Molecular formula: C6H4BrClO2S
Molecular weight: 255.52

Names & synonyms

2-Bromobenzenesulfonyl chlorideRefChem:467206628-301-82905-25-12-Bromobenzenesulphonyl chloride2-Bromobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 2-bromo-2-bromophenylsulfonyl chlorideMFCD000519712-bromo-benzenesulfonyl chloride(2-bromophenyl)chlorosulfone2-Bromobenzenesulphonylchloride

Show more names

O-BROMOBENZENESULFONYL CHLORIDE2-bromob2-Bromobenzenesulfonyl2-BROMOSULFONYL CHLORIDE2-bromobeneze sulfonyl chloride2-Bromobenzenesulphony I chloride

Benzenesulfonyl chloride, bromo-Brombenzolsulfochloridbromobenzenesulfonyl chlorideSCHEMBL8071bromobenzene sulfonyl chloride28906-36-76-bromophenylsulfonyl chloride2-bromo-benzenesulfonylchloride

Database identifiers

CAS: 2905-25-1
PubChem CID: 520403
DTXSID: DTXSID00951644
EC Number: 628-301-8
Nikkaji: J2.440.443I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 49 · 49-52 °C (lit.)
Boiling point: 98 · 98-100°C (0.5 torr)
Density: 1.791 · 1.7910 (estimate)
Flash point: 127 · 127-128°C/2.4mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Crystalline Powder
color: Slightly yellow
Sensitive: Moisture Sensitive
BRN: 2692202 · 2692202
InChI: InChI=1S/C6H4BrClO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKey: VFPWGZNNRSQPBT-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC=C1Br
CAS DataBase Reference: 2905 · 2905-25-1(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Bromobenzenesulfonyl chloride(2905-25-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications · 2 items

Uses2-Bromobenzenesulfonyl chloride may be used in the following:Preparation of 2-bromobenzenesulfonic acid phenyl ester.For the sufonylation during the synthesis of 2-bromobenzenesulfonamide.Synthesis of chiral 2-(p-toluenesulfinyl)benzenesulfonamide.

General Description2-Bromobenzenesulfonyl chloride can be synthesized from 2-aminobenzenesulfonic acid.