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4-Phenylpyrimidine

4-Phenylpyrimidine structure

CAS No:
3438-48-0
Formula:
C10H8N2
Chemical Name:
4-Phenylpyrimidine
Synonyms:
Pyrimidine,4-phenyl-;4-Phenylpyrimidine;6-Phenylpyrimidine;NSC 84249
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

light yellow crystalline powder

4-phenylpyrimidine is a biaryl that is pyrimidine substituted at position 4 by a phenyl group. It is a member of pyrimidines and a biaryl.

4-Phenylpyrimidine Basic Attributes

Molecular Weight：

156.19

Exact Mass：

156.18

EC Number：

222-345-8

UNII：

VQR91IRU2R

NSC Number：

84249

DSSTox ID：

DTXSID90187950

HScode：

2933599090

Characteristics

PSA：

25.8

XLogP3：

1.9

Appearance：

light yellow crystalline powder

Density：

1.106g/cm3

Melting Point：

54-58 °C

Boiling Point：

117 °C @ Press: 4 Torr

Flash Point：

>230 °F

Refractive Index：

1.58

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-36-22

safety instructions：

26-37/39-24/25

RTECS Number：

UV9640000

Marks：

Xi,Xn

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (99.49%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 195 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:156.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:156.068748264
Monoisotopic Mass:156.068748264
Topological Polar Surface Area:25.8
Heavy Atom Count:12
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes