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3-(4-Chlorobutyl)indole-5-carbonitrile

3-(4-Chlorobutyl)indole-5-carbonitrile structure

CAS No:
143612-79-7
Formula:
C13H13 Cl N2
Chemical Name:
3-(4-Chlorobutyl)indole-5-carbonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-(4-Chlorobutyl)indole-5-carbonitrile Basic Attributes

Molecular Weight：

232.71

Exact Mass：

232.076721

EC Number：

1308068-626-2

UNII：

L6DNG55PBH

DSSTox ID：

DTXSID70432273

HScode：

2933990090

Characteristics

PSA：

39.6

XLogP3：

4.14

Density：

1.22

Melting Point：

99-100℃

Boiling Point：

448.1±35.0 °C(Predicted)

Flash Point：

224.8±25.9 °C

Refractive Index：

1.610

Safety Information

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, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(4-Chlorobutyl)indole-5-carbonitrile Use and Manufacturing

Reactant in the preparation of allosteric IGF-1R inhibitors, and dual 5-HT1A receptor agonists and serotonin reuptake inhibitors.

Computed Properties

Molecular Weight:232.71
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:232.0767261
Monoisotopic Mass:232.0767261
Topological Polar Surface Area:39.6
Heavy Atom Count:16
Complexity:270
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 143612-79-7

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3-(4-Chlorobutyl)indole-5-carbonitrile

CAS No.: 143612-79-7

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Guide of 3-(4-Chlorobutyl)indole-5-carbonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3-(4-Chlorobutyl)indole-5-carbonitrile

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