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2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL

2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL structure

CAS No:
672-47-9
Formula:
C5H3F3N2O2
Chemical Name:
2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL
Synonyms:
NSC 52339;IFLAB-BB F2124-0816;2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL;4,6-Dihydroxy-2-trifluoromethylpyrimidine;6-hydroxy-2-(trifluoromethyl)-4(1H)-Pyrimidinone;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL Basic Attributes

Molecular Weight：

180.08

Exact Mass：

180.01500

NSC Number：

52339

DSSTox ID：

DTXSID30287741

HScode：

2933599090

Characteristics

PSA：

61.7

XLogP3：

0.90660

Density：

1.75

Melting Point：

254-256℃

Boiling Point：

228.5ºC at 760 mmHg

Flash Point：

92ºC

Refractive Index：

1.516

Safety Information

Hazard category：

IRRITANT, AVOID SKIN CONTACT

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.08
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:180.01466183
Monoisotopic Mass:180.01466183
Topological Polar Surface Area:61.7
Heavy Atom Count:12
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 672-47-9

Grade: Industrial Grade

Content: 99%

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Guide of 2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL

Basic Attributes
Characteristics
Safety Information
Computed Properties
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