4-Chloro-3-methylbenzene-1-sulfonyl chloride

HCID 221001

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Basic information

CAS: 6291-02-7
Standard SMILES: Cc1cc(S(=O)(=O)Cl)ccc1Cl
InChIKey: WEPYREBDJIVOHD-UHFFFAOYSA-N
Molecular formula: C7H6Cl2O2S
Average molar mass: 225.09 g/mol
Monoisotopic mass: 223.94655579

Names & identifiers

Preferred name: 4-Chloro-3-methylbenzene-1-sulfonyl chloride
IUPAC: 4-chloro-3-methylbenzenesulfonyl chloride
English name: 4-CHLORO-3-METHYL-BENZENESULFONYL CHLORIDE
Molecular formula: C7H6Cl2O2S
Molecular weight: 225.09

Names & synonyms

4-Chloro-3-methylbenzene-1-sulfonyl chlorideRefChem:521350673-840-44-chloro-3-methylbenzenesulfonyl chloride6291-02-74-chloro-3-methyl-benzenesulfonyl chlorideMFCD04117295BENZENESULFONYL CHLORIDE, 4-CHLORO-3-METHYL-NSC46103-methyl-4-chlorobenzenesulfonyl chloride4-Chloro-3-methylbenzene-1-sulfonylchlorideSCHEMBL305764

Show more names

DTXSID70277883WEPYREBDJIVOHD-UHFFFAOYSA-NALBB-016783NSC-4610SBB082001AKOS005139197chloro(4-chloro-3-methylphenyl)sulfonePB20117

Database identifiers

CAS: 6291-02-7
PubChem CID: 221001
DTXSID: DTXSID70277883
EC Number: 673-840-4
Nikkaji: J1.130.104E

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
Appearance: yellow solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338
RIDADR: 1759 · UN1759
HazardClass: IRRITANT
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

ridadr: UN1759
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: IRRITANT
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P305+P351+P338