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4-Acetamidothiophenol

4-Acetamidothiophenol structure

CAS No:
1126-81-4
Formula:
C8H9NOS
Chemical Name:
4-Acetamidothiophenol
Synonyms:
Acetamide,N-(4-mercaptophenyl)-;Acetanilide,4′-mercapto-;N-(4-Mercaptophenyl)acetamide;p-Acetamidobenzenethiol;4-Acetamidothiophenol;4′-Mercaptoacetanilide;4-Acetamidobenzenethiol;4-Acetylaminothiophenol;4-(Acetylamino)benzenethiol;p-Acetamidothiophenol;p-Mercaptoacetanilide;p-Acetamidophenyl mercaptan;2-(4-Mercaptophenyl)acetamide;N-Acetyl-4-mercaptoaniline;NSC 34851;p-(Acetylamino)thiophenol;N-(4-Sulfanylphenyl)acetamide
Categories:
Chemical Reagents > Organic Reagents

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Description

YELLOW POWDER

4-Acetamidothiophenol Basic Attributes

Molecular Weight：

167.23

Exact Mass：

167.23

BRN：

907890

EC Number：

214-427-7

NSC Number：

34851

DSSTox ID：

DTXSID60150116

HScode：

29309090

Characteristics

PSA：

30.1

XLogP3：

1.28

Appearance：

Yellow Powder

Density：

1.1602 (rough estimate)

Melting Point：

149-150 °C

Boiling Point：

367.1±25.0 °C(Predicted)

Flash Point：

175.8±23.2 °C

Refractive Index：

1.5650 (estimate)

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Hazard note：

Harmful/Stench

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.23
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.04048508
Monoisotopic Mass:167.04048508
Topological Polar Surface Area:30.1
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1126-81-4

Grade: Industrial Grade

Content: 99%

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