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4-(Trifluoromethyl)benzenecarbothioamide

4-(Trifluoromethyl)benzenecarbothioamide structure

CAS No:
72505-21-6
Formula:
C8H6F3NS
Chemical Name:
4-(Trifluoromethyl)benzenecarbothioamide
Synonyms:
Benzenecarbothioamide,4-(trifluoromethyl)-;4-(Trifluoromethyl)benzenecarbothioamide;4-(Trifluoromethyl)thiobenzamide;p-(Trifluoromethyl)thiobenzamide;4-(Trifluoromethyl)benzene-1-carbothioamide;4-(Trifluoromethyl)benzothioamide
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(Trifluoromethyl)benzenecarbothioamide Basic Attributes

Molecular Weight：

205.20000

Exact Mass：

205.20

HScode：

2930909090

Characteristics

PSA：

58.11000

XLogP3：

3.03990

Appearance：

off-white to pale yellow solid

Density：

1.372 g/cm3

Melting Point：

135-136 °C @ Solvent: Benzene

Boiling Point：

246ºC at 760 mmHg

Flash Point：

102.6ºC

Storage Conditions：

Refrigerator (+4ºC)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811

hazard class code：

R20/21/22

safety instructions：

S22-S26-S36/37/39

Marks：

GHS Classification：

|Danger|H301 (28.57%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:205.01730486
Monoisotopic Mass:205.01730486
Topological Polar Surface Area:58.1
Heavy Atom Count:13
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 72505-21-6

Grade: Industrial Grade

Content: 99%

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4-(Trifluoromethyl)thiobenzamide

CAS No.: 72505-21-6

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Guide of 4-(Trifluoromethyl)benzenecarbothioamide

Basic Attributes
Characteristics
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Computed Properties
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