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4-(1-PYRROLIDINYL)BENZONITRILE

4-(1-PYRROLIDINYL)BENZONITRILE structure

CAS No:
10282-30-1
Formula:
C11H12N2
Chemical Name:
4-(1-PYRROLIDINYL)BENZONITRILE
Synonyms:
4-PYRROLIDIN-1-YL-BENZONITRILE;4-(1-PYRROLIDINYL)BENZONITRILE;1-(4-Cyanophenyl)pyrrolidine;1-(Pyrrolidin-1-yl)-4-cyanobenzene;4-Pyrrolidinobenzonitrile;4-Pyrrolidiobenzonitrile;JR-8864, 4-(Pyrrolidin-1-yl)benzonitrile, 97%;Benzonitrile, 4-(1-pyrrolidinyl)-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(1-PYRROLIDINYL)BENZONITRILE Basic Attributes

Molecular Weight：

172.23

Exact Mass：

172.100048391

DSSTox ID：

DTXSID20406904

Characteristics

Density：

1.12±0.1 g/cm3

Melting Point：

200 °C

Boiling Point：

117 °C

PKA：

5.68±0.20

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439 6.1/PG III

hazard class code：

Marks：

GHS Classification：

|Danger|H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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:172.23
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:172.100048391
Monoisotopic Mass:172.100048391
Topological Polar Surface Area:27
Heavy Atom Count:13
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 10282-30-1

Grade: Industrial Grade

Content: 99%

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Guide of 4-(1-PYRROLIDINYL)BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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