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

Benzoic acid, 4-heptyl-, 4-cyanophenyl ester

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

Benzoic acid, 4-heptyl-, 4-cyanophenyl ester 

structure
  • CAS No:

    38690-76-5

  • Formula:

    C21H23NO2

  • Chemical Name:

    Benzoic acid, 4-heptyl-, 4-cyanophenyl ester

  • Synonyms:

    Benzoic acid,4-heptyl-,4-cyanophenyl ester;4-Cyanophenyl 4-heptylbenzoate;p′-Cyanophenyl p-heptylbenzoate;p-Cyanophenyl p-heptylbenzoate;4′-Cyanophenyl 4-heptylbenzoate;ZhK 489;Ro CE 154;4-Cyanophenyl 4′-n-heptylbenzoate;4-Cyanophenyl 4′-heptylbenzoate;L 7CN;p-Cyanophenyl p′-heptylbenzoate;4-Heptyl-4′-cyanophenyl benzoate;p-Cyanophenyl p-n-heptylbenzoate;7CE

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

321.41

321.41

254-084-0

DTXSID8068129

Characteristics

50.1 Ų

1.1164

44-45 °C(lit.)

460.16°C (rough estimate)

1.5614 (estimate)

Safety Information

3

20/21/22

36

Xn

|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

Benzoic acid, 4-heptyl-, 4-cyanophenyl ester: INACTIVE

Computed Properties

Molecular Weight:321.4
XLogP3:6.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:321.172878976
Monoisotopic Mass:321.172878976
Topological Polar Surface Area:50.1
Heavy Atom Count:24
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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