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4-Chlorothiobenzamide

4-Chlorothiobenzamide structure

CAS No:
2521-24-6
Formula:
C7H6ClNS
Chemical Name:
4-Chlorothiobenzamide
Synonyms:
4-Chlorothiobenzamid;4-CHLOROTHIOBENZAMIDE;OTAVA-BBBB7020331320;p-Chlorothiobenzamide;p-Chlorobenzothiamide;p-Chlorobenzothioamide;4-chlorobenzothioamide;Benzamide,p-chlorothio-;PARA-CHLOROTHIOBENZAMIDE;4-Chlorothiobenzamide,98%
Categories:
Organic Chemistry > Amides

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Description

Yellow crystalline powder

4-Chlorothiobenzamide Basic Attributes

Molecular Weight：

171.65

Exact Mass：

170.990952

BRN：

606603

NSC Number：

195318|179795

DSSTox ID：

DTXSID10179872

HScode：

29309099

Characteristics

PSA：

58.1

XLogP3：

2.39

Density：

1.3±0.1 g/cm3

Melting Point：

127-130 °C

Boiling Point：

275.6±42.0 °C at 760 mmHg

Flash Point：

120.5±27.9 °C

Refractive Index：

1.662

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2811

wgk germany：

hazard class code：

36/37/38-20/22-43-22

safety instructions：

37/39-26-36/37

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280

Hazard Statements：

H302-H317

GHS Classification：

|Warning|H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-chlorobenzothioamide

Computed Properties

Molecular Weight:171.65
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:170.9909481
Monoisotopic Mass:170.9909481
Topological Polar Surface Area:58.1
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Chlorothiobenzamide

CAS No.: 2521-24-6

Content: 99.00%

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