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3-(1H-Pyrazol-1-yl)benzonitrile

3-(1H-Pyrazol-1-yl)benzonitrile structure

CAS No:
25699-82-5
Formula:
C10H7N3
Chemical Name:
3-(1H-Pyrazol-1-yl)benzonitrile
Synonyms:
Benzonitrile,3-(1H-pyrazol-1-yl)-;Benzonitrile,m-pyrazol-1-yl-;3-(1H-Pyrazol-1-yl)benzonitrile;3-Pyrazol-1-ylbenzonitrile

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3-(1H-Pyrazol-1-yl)benzonitrile Basic Attributes

Molecular Weight：

169.18300

Exact Mass：

169.18

DSSTox ID：

DTXSID50428179

HScode：

2933199090

Characteristics

PSA：

41.61000

XLogP3：

1.74398

Density：

1.13g/cm3

Boiling Point：

309.8ºC

Flash Point：

141.2ºC

Refractive Index：

1.622

Vapor Pressure：

0.000625mmHg at 25°C

Safety Information

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:169.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.063997236
Monoisotopic Mass:169.063997236
Topological Polar Surface Area:41.6
Heavy Atom Count:13
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1H-Pyrazol-1-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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