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4-(Methylthio)aniline

4-(Methylthio)aniline structure

CAS No:
104-96-1
Formula:
C7H9NS
Chemical Name:
4-(Methylthio)aniline
Synonyms:
Benzenamine,4-(methylthio)-;Aniline,p-(methylthio)-;4-(Methylthio)benzenamine;p-(Methylthio)aniline;p-Thioanisidine;p-Aminophenyl methyl sulfide;p-Thiomethoxyaniline;4-(Methylthio)aniline;p-Aminothioanisole;4-Aminothioanisole;Methyl p-aminophenyl sulfide;4-Aminophenyl methyl sulfide;[4-(Methylthio)phenyl]amine;NSC 75842;4-(Methylsulfanyl)aniline;4-(Methylsulfanyl)phenylamine;4-Methylthiobenzeneamine;p-Methylsulfanylphenylamine;1-Amino-4-(methylthio)benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear orange to brown-red liquid

4-(methylthio) aniline is an aryl sulfide.

4-(Methylthio)aniline Basic Attributes

Molecular Weight：

139.22

Exact Mass：

139.22

BRN：

774506

EC Number：

203-256-3

NSC Number：

75842

DSSTox ID：

DTXSID7059309

HScode：

29309090

Characteristics

PSA：

51.3

XLogP3：

1.8

Appearance：

Clear orange to brown-red Liquid

Density：

1.119 g/mL at 25 °C(lit.)

Melting Point：

156-158 °C

Boiling Point：

272.5 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.639(lit.)

Toxicity：

Oral-quail LD50: 562 mg/kg

Flammability characteristics：

Flammable; high temperature produces toxic nitrogen oxide and sulfur oxide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36-37/39

RTECS Number：

BY6302000

Marks：

Xi,Xn

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Irritant/Stench

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

thioanisidine

4-(Methylthio)aniline Use and Manufacturing

Manufacturing Info：

Benzenamine, 4-(methylthio)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:139.22
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.04557046
Monoisotopic Mass:139.04557046
Topological Polar Surface Area:51.3
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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