(2,6-Dichlorophenyl)methanesulfonyl chloride

HCID 594465

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Basic information

CAS: 85952-31-4
Standard SMILES: O=S(=O)(Cl)Cc1c(Cl)cccc1Cl
InChIKey: JAIDEMJIMSTEKX-UHFFFAOYSA-N
Molecular formula: C7H5Cl3O2S
Average molar mass: 259.5 g/mol
Monoisotopic mass: 257.90758344

Names & identifiers

Preferred name: (2,6-Dichlorophenyl)methanesulfonyl chloride
IUPAC: (2,6-dichlorophenyl)methanesulfonyl chloride
English name: (2,6-dichlorophenyl)methanesulfonyl chloride
Molecular formula: C7H5Cl3O2S
Molecular weight: 259.54

Names & synonyms

(2,6-Dichlorophenyl)methanesulfonyl chloride85952-31-4DTXSID10344109RefChem:394679DTXCID30295184860-464-2Benzenemethanesulfonyl chloride, 2,6-dichloro-MFCD112040332,6-Dichlorobenzylsulfonyl chloride(2,6-Dichlorophenyl)methanesulphonyl chloride2,6-Dichlorobenzylsulphonyl chloridealpha-(Chlorosulphonyl)-2,6-dichlorotoluene

Show more names

(2,6-dichlorophenyl)methylsulfonylacylchloro

(2,6-Dichlorophenyl)methylsulphonyl chlorideSCHEMBL2716732,6-dichlorobenzylsulfonylchlorideALBB-027031AKOS000431239-Dichlorophenyl)methanesulfonyl chloridePS-10887SY185717

Database identifiers

CAS: 85952-31-4
PubChem CID: 594465
DTXSID: DTXSID10344109
EC Number: 860-464-2

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 249

Physicochemical properties

storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
form: Powder
Appearance: White to off-white Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2904990090
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H318
Precautionary statements: P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310