4,4′-(1,2-Ethenediyl)bis[benzoic acid]
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![4,4′-(1,2-Ethenediyl)bis[benzoic acid] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0b8c563368df44aab60fea7bc98aaf74.png "4,4′-(1,2-Ethenediyl)bis[benzoic acid]")
4,4′-(1,2-Ethenediyl)bis[benzoic acid]
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CAS No:
100-31-2
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Formula:
C16H12O4
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Chemical Name:
4,4′-(1,2-Ethenediyl)bis[benzoic acid]
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Synonyms:
Benzoic acid,4,4′-(1,2-ethenediyl)bis-;4,4′-Stilbenedicarboxylic acid;4,4′-(1,2-Ethenediyl)bis[benzoic acid];4,4′-Dicarboxystilbene;NSC 40932
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CAS No:
Characteristics
74.6
3.2
white powder
1.4±0.1 g/cm3
352-354 °C
518.5°C at 760 mmHg
281.4±23.6 °C
1.713
1.42E-11mmHg at 25°C
Safety Information
NONH for all modes of transport
36/37/38-52-38-37-36-22
26-37
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,4′-(1,2-Ethenediyl)bis[benzoic acid] Use and Manufacturing
Mainly used in the production of optical brightener OB-1; used in the synthesis of plastic brighteners and polymer intermediates.
Computed Properties
Molecular Weight:268.26
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:268.07355886
Monoisotopic Mass:268.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:20
Complexity:336
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,4′-(1,2-Ethenediyl)bis[benzoic acid]
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