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7-CYANOINDOLE

7-CYANOINDOLE structure

CAS No:
96631-87-7
Formula:
C9H6N2
Chemical Name:
7-CYANOINDOLE
Synonyms:
7-carbonitrile;1H-Indole-7-carbonitrile 97%;7-CYANOINDOLE in stock Factory;7-CHOROINDOLE-3-CARBOXALDEHYDE;7-Cyano-1H-indole;1H-Indole-7-carbonitrile;7-Cyanoindole;96631-87-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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7-CYANOINDOLE Basic Attributes

Molecular Weight：

142.16

Exact Mass：

142.053098200

DSSTox ID：

DTXSID90447546

Characteristics

Density：

1.24±0.1 g/cm3

Melting Point：

95-96 °C

Boiling Point：

350.0±15.0 °C(Predicted)

PKA：

14.61±0.30

Safety Information

Hazard category：

IRRITANT

Transport codes：

3439

hazard class code：

20/21/22-22

safety instructions：

22-36/37/39

Marks：

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, 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: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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