Benzoicacid, 4-chloro-, 1,4-phenylene ester (9CI)

Modify Date: 2025-08-25 12:45:38

Benzoicacid, 4-chloro-, 1,4-phenylene ester (9CI) Structure
Benzoicacid, 4-chloro-, 1,4-phenylene ester (9CI) structure
Common Name Benzoicacid, 4-chloro-, 1,4-phenylene ester (9CI)
CAS Number 5411-00-7 Molecular Weight 387.21300
Density 1.382g/cm3 Boiling Point 540.1ºC at 760mmHg
Molecular Formula C20H12Cl2O4 Melting Point N/A
MSDS N/A Flash Point 204.7ºC

 Names

Name [4-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.382g/cm3
Boiling Point 540.1ºC at 760mmHg
Molecular Formula C20H12Cl2O4
Molecular Weight 387.21300
Flash Point 204.7ºC
Exact Mass 386.01100
PSA 52.60000
LogP 5.43180
Index of Refraction 1.627
InChIKey GPEJTVXJCWKUAB-UHFFFAOYSA-N
SMILES O=C(Oc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1

 Synthetic Route

~50%

Benzoicacid, 4-chloro-, 1,4-phenylene ester (9CI) Structure

Benzoicacid, 4-...

CAS#:5411-00-7

Literature: Bumagin, N. A.; Nikitin, K. V.; Andryukhova, N. P.; Beletskaya, I. P. Doklady Chemistry, 1991 , vol. 318, # 4-6 p. 155 - 159 Dokl. Akad. Nauk SSSR Ser. Khim., 1991 , vol. 318, # 6 p. 1389 - 1394

~80%

Benzoicacid, 4-chloro-, 1,4-phenylene ester (9CI) Structure

Benzoicacid, 4-...

CAS#:5411-00-7

Literature: Yamago, Shigeru; Hashidume, Masahiro; Yoshida, Jun-Ichi Tetrahedron, 2002 , vol. 58, # 34 p. 6805 - 6813

 Synonyms

benzene-1,4-diyl bis(4-chlorobenzoate)
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