4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

HCID 15917496

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Basic information

CAS: 55661-08-0
Standard SMILES: COc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIKey: FARJAHHRGCAAOY-UHFFFAOYSA-N
Molecular formula: C9H11ClO3S
Average molar mass: 234.7 g/mol
Monoisotopic mass: 234.0117431

Names & identifiers

Preferred name: 4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride
IUPAC: 4-methoxy-2,6-dimethylbenzenesulfonyl chloride
English name: 4-Methoxy-2,6-dimethylbenzenesulfonyl chloride
Molecular formula: C9H11ClO3S
Molecular weight: 234.7

Names & synonyms

55661-08-04-methoxy-2,6-dimethylbenzene-1-sulfonyl chlorideDTXSID10579530RefChem:293766DTXCID40530295875-103-44-methoxy-2,6-dimethylbenzenesulfonyl chloride4-methoxy-2,6-dimethyl-benzenesulfonyl chlorideMFCD002103272,6-Dimethyl-4-methoxybenzenesulphonyl chlorideBenzenesulfonyl chloride, 4-methoxy-2,6-dimethyl-2,6-dimethyl-4-methoxyphenylsulfonyl chloride

Show more names

4-methoxy-2,6-dimethyl-benzensulfonyl4-Methoxy-2,6-xylenesulfonyl chloride4-Methoxy-2,6-dimethylbenzenesulfonyl4-Methxy-2,6-dimethylbenzenesulfonyl Chloride2,6-Dimethyl-4-methoxybenzenesulfonyl chloride5-methoxy-2,3-dimethylbenzene-1-sulfonyl chloride

4-Methoxy-2,6-dimethylbenzenesulfonylchlorideSCHEMBL152815FARJAHHRGCAAOY-UHFFFAOYSA-NAKOS009208064SB37650AS-31302SY008164DB-072022

Database identifiers

CAS: 55661-08-0
PubChem CID: 15917496
DTXSID: DTXSID10579530
EC Number: 875-103-4
Nikkaji: J409.377A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 271

Physicochemical properties

Boiling point: 167 · 167-170 °C(Press: 16 Torr)
Density: 1.285 · 1.285
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.