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1H-Indole-4-acetonitrile

1H-Indole-4-acetonitrile structure

CAS No:
30933-66-5
Formula:
C10H8N2
Chemical Name:
1H-Indole-4-acetonitrile
Synonyms:
1H-Indole-4-acetonitrile(9CI);1H-Indole-4-acetonitrile;1H-indol-4-ylacetonitrile;2-(1H-Indol-4-yl)acetonitrile;4-(cyanomethyl)indole

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1H-Indole-4-acetonitrile Basic Attributes

Molecular Weight：

156.18

Exact Mass：

156.068748264

DSSTox ID：

DTXSID50510841

HScode：

2933990090

Characteristics

PSA：

39.58000

XLogP3：

2.23398

Density：

1.219±0.06 g/cm3

Melting Point：

115 °C

Boiling Point：

374.1±17.0 °C(Predicted)

Flash Point：

127.557ºC

Refractive Index：

1.673

PKA：

16.52±0.30

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:156.18
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:156.068748264
Monoisotopic Mass:156.068748264
Topological Polar Surface Area:39.6
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Indole-4-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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