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1H-Indole-6-carbonitrile

1H-Indole-6-carbonitrile structure

CAS No:
15861-36-6
Formula:
C9H6N2
Chemical Name:
1H-Indole-6-carbonitrile
Synonyms:
1H-Indole-6-carbonitrile;Indole-6-carbonitrile;6-Cyanoindole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1H-Indole-6-carbonitrile Basic Attributes

Molecular Weight：

142.15700

Exact Mass：

142.16

EC Number：

239-988-5

DSSTox ID：

DTXSID00166478

HScode：

2933990090

Characteristics

PSA：

39.58000

XLogP3：

2.03958

Appearance：

off-white to yellowish crystalline powder

Density：

1.24 g/cm3

Melting Point：

129-130 °C

Boiling Point：

350ºC at 760 mmHg

Flash Point：

121.9ºC

Refractive Index：

1.674

Vapor Pressure：

4.51E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439

hazard class code：

R22

safety instructions：

S22-S36/37

Marks：

GHS Classification：

|Danger|H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:142.16
XLogP3:2.4
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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