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4-Bromothioanisole

4-Bromothioanisole structure

CAS No:
104-95-0
Formula:
C7H7BrS
Chemical Name:
4-Bromothioanisole
Synonyms:
Benzene,1-bromo-4-(methylthio)-;Sulfide,p-bromophenyl methyl;1-Bromo-4-(methylthio)benzene;p-Bromophenyl methyl sulfide;4-Bromothioanisole;Methyl 4-bromophenyl sulfide;4-Bromo-1-(methylthio)benzene;p-Bromo(methylthio)benzene;p-Bromothioanisole;4-Bromophenyl methyl sulfide;p-(Methylthio)phenyl bromide;Methyl p-bromophenyl sulfide;1-Bromo-4-(methylsulfanyl)benzene;NSC 73383;4-(Methylthio)bromobenzene;4-Methylthiophenyl bromide;4-(Methylthio)-1-bromobenzene;(4-Bromophenyl)(methyl)sulfane;87494-90-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to beige low melting crystalline mass,

4-Bromothioanisole Basic Attributes

Molecular Weight：

203.097

Exact Mass：

203.10

EC Number：

203-255-8

NSC Number：

73383

DSSTox ID：

DTXSID90146209

HScode：

29093090

Characteristics

PSA：

25.3

XLogP3：

3.1

Appearance：

slightly brown solid.

Density：

1.465 g/cm³ @ Temp: 1 °C

Melting Point：

32 °C

Boiling Point：

230-232 °C

Flash Point：

>230 °F

Refractive Index：

1.624

Vapor Pressure：

0.0537mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, STENCH

Transport codes：

UN 3335

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

37/39-26

Marks：

Xn,Xi

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (82.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-bromothioanisole

Computed Properties

Molecular Weight:203.10
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:201.94518
Monoisotopic Mass:201.94518
Topological Polar Surface Area:25.3
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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