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4-Butylbenzonitrile

4-Butylbenzonitrile structure

4-Butylbenzonitrile 

structure
  • CAS No:

    20651-73-4

  • Formula:

    C11H13N

  • Chemical Name:

    4-Butylbenzonitrile

  • Synonyms:

    Benzonitrile,4-butyl-;Benzonitrile,p-butyl-;4-Butylbenzonitrile;p-Cyanobutylbenzene;p-Butylbenzonitrile

Description

clear colorless liquid

4-Butylbenzonitrile Basic Attributes

159.23

159.23

DTXSID40174693

2926909090

Characteristics

23.8

3.71

1.0±0.1 g/cm3

154 °C @ Press: 760 Torr

145 °F

1.514

Safety Information

III

6.1

3276

3

20/21/22-36/37/38

26-36

Xn,Xi

P261-P280-P305 + P351 + P338

H302-H312-H315-H319-H332-H335

|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:159.23
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:159.104799419
Monoisotopic Mass:159.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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