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4-Chloropyrimidine

4-Chloropyrimidine structure

CAS No:
17180-93-7
Formula:
C4H3ClN2
Chemical Name:
4-Chloropyrimidine
Synonyms:
Pyrimidine,4-chloro-;4-Chloropyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-Chloropyrimidine Basic Attributes

Molecular Weight：

114.53

Exact Mass：

114.53

DSSTox ID：

DTXSID70349079

HScode：

29335990

Characteristics

PSA：

25.8

XLogP3：

0.47

Density：

1.303±0.06 g/cm3(Predicted)

Melting Point：

160-170 °C (decomp)

Boiling Point：

173.0±13.0 °C(Predicted)

Flash Point：

72.8±5.4 °C

Refractive Index：

1.535

Safety Information

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:114.53
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Exact Mass:113.9984758
Monoisotopic Mass:113.9984758
Topological Polar Surface Area:25.8
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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