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2-Pyrimidinecarbonitrile,5-methyl-(9CI)

2-Pyrimidinecarbonitrile,5-methyl-(9CI) structure

CAS No:
38275-54-6
Formula:
C6H5N3
Chemical Name:
2-Pyrimidinecarbonitrile,5-methyl-(9CI)
Synonyms:
2-Pyrimidinecarbonitrile, 5-methyl- (9CI);5-MethylpyriMidine-2-carbonitrile;2-PyriMidinecarbonitrile, 5-Methyl-;5-METHYL-2-PYRIMIDINECARBONITRILE

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2-Pyrimidinecarbonitrile,5-methyl-(9CI) Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.048347172

DSSTox ID：

DTXSID50609845

HScode：

2933599090

Characteristics

PSA：

49.57000

XLogP3：

0.65668

Density：

1.16±0.1 g/cm3

Boiling Point：

264.9±33.0 °C(Predicted)

PKA：

-2.84±0.22

Safety Information

safety instructions：

24/25

GHS Classification：

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

Computed Properties

Molecular Weight:119.12
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Exact Mass:119.048347172
Monoisotopic Mass:119.048347172
Topological Polar Surface Area:49.6
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Pyrimidinecarbonitrile,5-methyl-(9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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