2-Methanesulfonylbenzene-1-sulfonyl chloride

HCID 2735178CAS 89265-35-0

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)c1ccccc1S(=O)(=O)Cl
InChIKey: XPJTUCSESGEMOI-UHFFFAOYSA-N
Molecular formula: C7H7ClO4S2
Average molar mass: 254.7 g/mol
Monoisotopic mass: 253.94742838

Names & identifiers

Preferred name: 2-Methanesulfonylbenzene-1-sulfonyl chloride
IUPAC: 2-methylsulfonylbenzenesulfonyl chloride
English name: 2-(Methylsulfonyl)benzenesulfonyl chloride
Molecular formula: C7H7ClO4S2
Molecular weight: 254.71

Names & synonyms

2-methanesulfonylbenzene-1-sulfonyl chlorideRefChem:474091638-950-989265-35-02-(methylsulfonyl)benzenesulfonyl chloride2-methylsulfonylbenzenesulfonyl Chloride2-(methylsulfonyl)benzene-1-sulfonyl chlorideMFCD002164932-(methylsulphonyl)benzenesulphonyl chloride2-methylsulphonylbenzenesulphonyl chlorideBenzenesulfonyl chloride, 2-(methylsulfonyl)-SCHEMBL489571

Show more names

o-Chlorosulfonylphenyl methyl sulfone.2-Methysulfonylbenzenesulfonyl chloride2-METHYLSULPHONYLBENZENESULFONYL CHLORIDE2-(Chlorosulphonyl)phenyl methyl sulphone2-(Methylsulfonyl)benzenesulfonyl chloride,95%2-(Methylsulphonyl)benzenesulphonylchloride95%

SCHEMBL30690139DTXSID00370614XPJTUCSESGEMOI-UHFFFAOYSA-NPDA26535o-chlorosulfonylphenyl methyl sulfoneCK2487SBB0664872-methylsulfonylbenzenesulfonylchloride

Database identifiers

CAS: 89265-35-0
PubChem CID: 2735178
DTXSID: DTXSID00370614
EC Number: 638-950-9

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 85 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 386

Physicochemical properties

Melting point: 133 · 133-138 °C
Boiling point: 442 · 442.0±37.0 °C(Predicted)
Density: 1.4936 · 1.4936 (estimate)
form: Crystalline Powder
color: Off-white to yellow-brown
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
CAS DataBase Reference: 89265 · 89265-35-0(CAS DataBase Reference)
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: Xi,C
Risk Statements: 36 · 36/37/38-34
Safety Statements: 37 · 37/39-26-45-36/37/39
RIDADR: 3261 · UN3261
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049095 · 29049095
Limited Quantities: 5 kg · 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

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

ridadr: UN3261
hs_code: 29049095
risk_code: 36/37/38-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
hazard_note: Corrosive
safety_code: 37/39-26-45-36/37/39
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a