Methyl 5-(chlorosulfonyl)-2-methoxybenzoate

HCID 43436733
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Basic information

CAS
191471-91-7
Standard SMILES
COC(=O)c1cc(S(=O)(=O)Cl)ccc1OC
InChIKey
YDEWENZFUMWNIM-UHFFFAOYSA-N
Molecular formula
C9H9ClO5S
Average molar mass
264.68 g/mol

Names & identifiers

Preferred name
Methyl 5-(chlorosulfonyl)-2-methoxybenzoate
IUPAC
methyl 5-chlorosulfonyl-2-methoxybenzoate
English name
methyl 5-(chlorosulfonyl)-2-methoxybenzoate
Molecular formula
C9H9ClO5S
Molecular weight
264.68

Names & synonyms

methyl 5-(chlorosulfonyl)-2-methoxybenzoate191471-91-7RefChem:816748865-283-2Methyl 5-chlorosulfonyl-2-methoxy-benzoatemethyl 5-chlorosulfonyl-2-methoxybenzoateSulpiride Impurity 14SCHEMBL15352924YDEWENZFUMWNIM-UHFFFAOYSA-NRHA47191GS3172MFCD12169468
Show more names
Benzoic acid, 5-(chlorosulfonyl)-2-methoxy-, methyl ester3-(((1-ethylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxybenzenesulfonic acid hydrochloride
AKOS009469083methyl5-(chlorosulfonyl)-2-methoxybenzoateEN300-82832G49119

Database identifiers

CAS
191471-91-7
PubChem CID
43436733
EC Number
865-283-2
Nikkaji
J33.492H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Physicochemical properties

Boiling point
394 · 394.0±27.0 °C(Predicted)
Density
1.407 · 1.407±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
314 · H314-H335-H302
Precautionary statements
260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

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

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H314-H335-H302
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers12 total

南京望知星医药科技有限公司18569809817 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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