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3-Isoquinolinecarbonitrile

3-Isoquinolinecarbonitrile structure

CAS No:
26947-41-1
Formula:
C10H6N2
Chemical Name:
3-Isoquinolinecarbonitrile
Synonyms:
ISOQUINOLINE-3-CARBONITRILE;3-ISOQUINOLINECARBONITRILE;3-Cyanoisoquinoline;Isoquinoline-3-carbonitrile,99%;3-Isoquinolinecarbonitrile (6CI,8CI,9CI)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White solid

3-Isoquinolinecarbonitrile Basic Attributes

Molecular Weight：

154.17

Exact Mass：

154.053101

BRN：

114887

EC Number：

DSSTox ID：

DTXSID10408098

HScode：

2933499090

Characteristics

PSA：

36.7

XLogP3：

2.2

Appearance：

White to yellow Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

126-128 °C(lit.)

Boiling Point：

348.9°C at 760 mmHg

Flash Point：

121.6±5.6 °C

Refractive Index：

1.654

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:154.17
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:154.053098200
Monoisotopic Mass:154.053098200
Topological Polar Surface Area:36.7
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Isoquinolinecarbonitrile

CAS No.: 26947-41-1

Content: 99.00%

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Guide of 3-Isoquinolinecarbonitrile

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Basic Attributes
Characteristics
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Computed Properties
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