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Home > Encyclopedia > Benzoic acid, 4-hexyl-, 4-cyanophenyl ester

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester structure

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester 

structure
  • CAS No:

    50793-85-6

  • Formula:

    C20H21NO2

  • Chemical Name:

    Benzoic acid, 4-hexyl-, 4-cyanophenyl ester

  • Synonyms:

    Benzoic acid,4-hexyl-,4-cyanophenyl ester;4-Cyanophenyl 4-hexylbenzoate;p-Cyanophenyl p-hexylbenzoate;p′-Cyanophenyl p-hexylbenzoate;4-Cyanophenyl 4-n-hexylbenzoate;p-Cyanophenyl-p-n-hexyl benzoate;6CE;4′-Cyanophenyl 4-hexylbenzoate

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester Basic Attributes

307.39

307.39

256-767-9

DTXSID4068583

2926909090

Characteristics

50.1

4.90028

1.1 g/cm3

43-47°C

464.8ºC at 760 mmHg

231.8ºC

1.565

Safety Information

III

6.1

3439

20/21/22

22-36/37/39

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester Use and Manufacturing

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester: ACTIVE

Computed Properties

Molecular Weight:307.4
XLogP3:6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:307.157228913
Monoisotopic Mass:307.157228913
Topological Polar Surface Area:50.1
Heavy Atom Count:23
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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