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4-(Trifluoromethyl)-2-pyrimidinethiol

4-(Trifluoromethyl)-2-pyrimidinethiol structure

CAS No:
136547-17-6
Formula:
C5H3F3N2S
Chemical Name:
4-(Trifluoromethyl)-2-pyrimidinethiol
Synonyms:
2-MERCAPTO-4-(TRIFLUOROMETHYL)PYRIMIDINE;AKOS B022179;4-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL;4-(TRIFLUOROMETHYL)-2-PYRIMIDINETHIOL;ART-CHEM-BB B022179;BUTTPARK 27\08-66;4-(Trifluoromethyl)pyrimidine-2-thiol 97%;4-(Trifluoromethyl)pyrimidine-2-thiol97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

orange needle-like crystalline solid

4-(Trifluoromethyl)-2-pyrimidinethiol Basic Attributes

Molecular Weight：

180.15

Exact Mass：

179.996902

EC Number：

1312995-182-4

HScode：

29335990

Characteristics

PSA：

64.58000

XLogP3：

-0.54

Appearance：

orange needle-like crystalline solid

Density：

1.4933 (estimate)

Melting Point：

164-166 °C(lit.)

Boiling Point：

146.0±50.0 °C(Predicted)

Flash Point：

95.4±30.1 °C

Refractive Index：

1.495

Vapor Pressure：

15.6mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

23/24/25

safety instructions：

36/37/39-45

Marks：

T,Xi

Hazard note：

Irritant/Stench

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301-H311-H331

GHS Classification：

|Danger|H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:179.99690376
Monoisotopic Mass:179.99690376
Topological Polar Surface Area:56.5
Heavy Atom Count:11
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(Trifluoromethyl)-2-pyrimidinethiol

CAS No.: 136547-17-6

Content: 99.00%

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Guide of 4-(Trifluoromethyl)-2-pyrimidinethiol

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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