6-Methoxy-m-toluenesulfonyl chloride

HCID 145149
NotesReactions
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Basic information

CAS
88040-86-2
Standard SMILES
COc1ccc(C)cc1S(=O)(=O)Cl
InChIKey
BJYNYQGJTZULJI-UHFFFAOYSA-N
Molecular formula
C8H9ClO3S
Average molar mass
220.67 g/mol
Monoisotopic mass
219.99609283

Names & identifiers

Preferred name
6-Methoxy-m-toluenesulfonyl chloride
IUPAC
2-methoxy-5-methylbenzenesulfonyl chloride
English name
6-METHOXY-M-TOLUENESULFONYL CHLORIDE
Molecular formula
C8H9ClO3S
Molecular weight
220.67

Names & synonyms

88040-86-26-Methoxy-m-toluenesulfonyl chlorideDTXSID80236764RefChem:104938DTXCID10159255BJYNYQGJTZULJI-UHFFFAOYSA-N2-Methoxy-5-methylbenzenesulfonyl chloride2-methoxy-5-methylbenzene-1-sulfonyl chlorideMFCD000605522-Methoxy-5-methyl-benzenesulfonyl chlorideBenzenesulfonyl chloride, 2-methoxy-5-methyl-2-methoxy-5-methylbenzene-1-sulfonylchloride
Show more names
ASISCHEM D489256-Methyl-m-toluenesulfonyl chloride6-METHOXY-3-TOLUENESULPHONYL CHLORIDEBenzenesulfonyl chloride, 2-methoxy-5-methyl- (9CI)
2-Methoxy-5-methylbenzenesulfonyl chloride #5-methyl-2-(methyloxy)benzenesulfonyl chloridechloro(2-methoxy-5-methylphenyl)sulfoneSCHEMBL739940SBB018165AKOS000200337FS-41562-methoxy-5-methylphenylsulfonyl chloride

Database identifiers

CAS
88040-86-2
PubChem CID
145149
DTXSID
DTXSID80236764
EC Number
674-122-3

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
82 °C · 82 °C
Boiling point
329.6 · 329.6±35.0 °C(Predicted)
Density
1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.
Keep Cold
Appearance
White to off-white Solid
CAS DataBase Reference
88040 · 88040-86-2(CAS DataBase Reference)

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

Hazard information

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

Safety data

ridadr
3261
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi,C
safety_code
26-36/37/39

Chemistry & industry

Applications

Uses2-Methoxy-5-methylbenzene-1-sulfonyl Chloride is used in preparation of benzenesulfonamide derivatives and analogs as ATP citrate lyase inhibitors.

Suppliers29 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

33 records
New reaction record

Compound notes

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