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1H-indole-2-carbonitrile

1H-indole-2-carbonitrile structure

CAS No:
36193-65-4
Formula:
C9H6N2
Chemical Name:
1H-indole-2-carbonitrile
Synonyms:
1H-indole-2-carbonitrile;2-Cyanoindole;Indole-2-carbonitrile;Indole-2-carbonitrile,97%

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1H-indole-2-carbonitrile Basic Attributes

Molecular Weight：

142.16

Exact Mass：

142.053098200

DSSTox ID：

DTXSID90396409

Characteristics

Density：

1.24±0.1 g/cm3

Melting Point：

101 °C(Solv: water (7732-18-5); ethanol (64-17-5))

Boiling Point：

350.0±15.0 °C(Predicted)

PKA：

13.91±0.30

Safety Information

Hazard category：

6.1

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|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:142.16
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:142.053098200
Monoisotopic Mass:142.053098200
Topological Polar Surface Area:39.6
Heavy Atom Count:11
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-indole-2-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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