1,2-Dimethylimidazole-4-sulfonyl chloride

HCID 2736256

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Basic information

CAS: 137049-02-6
Standard SMILES: Cc1nc(S(=O)(=O)Cl)cn1C
InChIKey: JPAFTHVNSBWVQJ-UHFFFAOYSA-N
Molecular formula: C5H7ClN2O2S
Average molar mass: 194.64 g/mol
Monoisotopic mass: 193.99167614

Overview

structure in first source

Names & identifiers

Preferred name: 1,2-Dimethylimidazole-4-sulfonyl chloride
IUPAC: 1,2-dimethylimidazole-4-sulfonyl chloride
English name: 1,2-DIMETHYL-1H-IMIDAZOLE-4-SULFONYL CHLORIDE
Molecular formula: C5H7ClN2O2S
Molecular weight: 194.64

Names & synonyms

1,2-dimethylimidazole-4-sulfonyl ChlorideRefChem:71969137049-02-61,2-dimethyl-1H-imidazole-4-sulfonyl chlorideMFCD013137801,2-Dimethyl-1H-imidazole-4-sulfonylchloride1H-Imidazole-4-sulfonyl chloride, 1,2-dimethyl-1,2-dimethylimidazole-4-sulphonylchloride1,2-dimethylimidazole-4-sulphonyl chloride1,2-dimethyl-1H-imidazol-4-sulfonyl chloride1,2-dimethyl-1h-imidazole-4-sulphonyl chlorideSCHEMBL388492

Show more names

BB_SC-2496BUTTPARK 27\06-13SALOR-INT L481165-1EA1,2-dimethyl-4-imidazolesulfonyl chloride1H-Imidazole-4-sulfonylchloride, 1,2-dimethyl-1,2-Dimethyl-1H-imidazole-4-sulphonylchloride95%

orb3181517DTXSID70371234JPAFTHVNSBWVQJ-UHFFFAOYSA-NALBB-021363SBB079256AKOS002663610AT12182(1,2-dimethylimidazol-4-yl)chlorosulfone

Database identifiers

CAS: 137049-02-6
PubChem CID: 2736256
DTXSID: DTXSID70371234
EC Number: 655-195-0
Nikkaji: J938.929F

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 60.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 91 °C · 91 °C
Boiling point: 357.5 · 357.5±15.0 °C(Predicted)
Density: 1.52 · 1.52±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder
pka: 1.18 · 1.18±0.70(Predicted)
color: White
Stability: Moisture Sensitive, Hygroscopic
CAS DataBase Reference: 137049 · 137049-02-6(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P305+P351+P338
Hazard Codes: Xi,C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
HazardClass: MOISTURE SENSITIVE, CORROSIVE
HS Code: 2933299090 · 2933299090
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

Warning

H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 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 CategoriesSkin Irrit. 2 (92.9%)

Safety data

ridadr: 3261
hs_code: 2933299090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
safety_code: 26-36/37/39
hazard_class: MOISTURE SENSITIVE, CORROSIVE
Hazard statements: H314
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: P260-P280-P305+P351+P338