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Benzoic acid, 2-(methylthio)-, methyl ester

Benzoic acid, 2-(methylthio)-, methyl ester structure

CAS No:
3704-28-7
Formula:
C9H10O2S
Chemical Name:
Benzoic acid, 2-(methylthio)-, methyl ester
Synonyms:
Benzoic acid,2-(methylthio)-,methyl ester;Benzoic acid,o-(methylthio)-,methyl ester;o-(Methylthio)benzoic acid methyl ester;Methyl 2-(methylmercapto)benzoate;Methyl 2-(methylthio)benzoate;Methyl o-(methylthio)benzoate;Methyl O-methylthiosalicylate;Methyl o-(methoxycarbonyl)phenyl sulfide;2-(Methylthio)benzoic acid methyl ester;NSC 130740;2-Methylsulfanylbenzoic acid methyl ester

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Description

white to off-white powder

Benzoic acid, 2-(methylthio)-, methyl ester Basic Attributes

Molecular Weight：

182.240

Exact Mass：

182.24

NSC Number：

130740

DSSTox ID：

DTXSID10299443

HScode：

2930909090

Characteristics

PSA：

51.60000

XLogP3：

2.88

Density：

1.2±0.1 g/cm3

Melting Point：

66-67 °C

Boiling Point：

268.2±23.0 °C at 760 mmHg

Flash Point：

121.4±10.6 °C

Refractive Index：

1.559

Safety Information

wgk germany：

safety instructions：

S24/25

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

methyl 2-(methylthio)benzoate

Computed Properties

Molecular Weight:182.24
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:51.6
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 2-(methylthio)-, methyl ester

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

Benzoic acid, 2-(methylthio)-, methyl ester

SDS

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