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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile structure

CAS No:
112809-25-3
Formula:
C10H8N4
Chemical Name:
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
Synonyms:
Benzonitrile,4-(1H-1,2,4-triazol-1-ylmethyl)-;4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile;4-1-(1,2,4-Triazolyl)-methyl-benzonitrile;4-[(1H-1,2,4-Triazol-1-yl)methyl]benzonitrile;4-2[1-(1,2,4-Triazol-1-yl)methyl]benzonitrile;1-(4-Cyanobenzyl)-1,2,4-triazole;4-[(1,2,4-Triazol-1-yl)methyl]benzonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile Basic Attributes

Molecular Weight：

184.2

Exact Mass：

184.20

EC Number：

601-203-2

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

0.6

Appearance：

White crystalline powder

Density：

1.2±0.1 g/cm3

Melting Point：

108-110 °C

Boiling Point：

412.1°C at 760 mmHg

Flash Point：

203.0±31.5 °C

Refractive Index：

1.643

Vapor Pressure：

5.31E-07mmHg at 25°C

Safety Information

hazard class code：

R10;R20/21/22

safety instructions：

S16-S22-S36/37/39

Marks：

Xn:Harmful

Computed Properties

Molecular Weight:184.20
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.074896272
Monoisotopic Mass:184.074896272
Topological Polar Surface Area:54.5
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

CAS No.: 112809-25-3

Content: 99.00%

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Guide of 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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