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4-(PYRIMIDIN-5-YL)BENZALDEHYDE

4-(PYRIMIDIN-5-YL)BENZALDEHYDE structure

CAS No:
198084-12-7
Formula:
C11H8N2O
Chemical Name:
4-(PYRIMIDIN-5-YL)BENZALDEHYDE
Synonyms:
4-(PYRIMIDIN-5-YL)BENZALDEHYDE;5-(4-FORMYLPHENYL)PYRIMIDINE;4-(5-PYRIMIDINYL)BENZALDEHYDE;AKOS BAR-0648;4-(2-(Dimethylamino)pyrimidin-5-yl)benzaldehyde;4-(2-Chloropyrimidin-5-yl)benzaldehyde;4-PYRIMIDIN-5-YL-BENZALDEHYDE, 95+%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-(PYRIMIDIN-5-YL)BENZALDEHYDE Basic Attributes

Molecular Weight：

184.19

Exact Mass：

184.06400

DSSTox ID：

DTXSID80397501

HScode：

2933599090

Characteristics

PSA：

42.8

XLogP3：

1.95610

Density：

1.205±0.06 g/cm3(Predicted)

Melting Point：

145-149 °C(lit.)

Boiling Point：

369.1±35.0 °C(Predicted)

Flash Point：

180.6ºC

Refractive Index：

1.621

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:184.19
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.063662883
Monoisotopic Mass:184.063662883
Topological Polar Surface Area:42.8
Heavy Atom Count:14
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(PYRIMIDIN-5-YL)BENZALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-(PYRIMIDIN-5-YL)BENZALDEHYDE

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