2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-4-carboxylic acid

Modify Date: 2025-08-25 17:06:18

2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-4-carboxylic acid Structure
2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-4-carboxylic acid structure
Common Name 2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-4-carboxylic acid
CAS Number 904817-12-5 Molecular Weight 254.24100
Density 1.483g/cm3 Boiling Point 575.6ºC at 760 mmHg
Molecular Formula C14H10N2O3 Melting Point N/A
MSDS N/A Flash Point 301.9ºC

 Names

Name 2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-4-carboxylic acid

 Chemical & Physical Properties

Density 1.483g/cm3
Boiling Point 575.6ºC at 760 mmHg
Molecular Formula C14H10N2O3
Molecular Weight 254.24100
Flash Point 301.9ºC
Exact Mass 254.06900
PSA 86.21000
LogP 2.63370
Index of Refraction 1.753
InChIKey FCJWMWWRYMPNKR-UHFFFAOYSA-N
SMILES O=C(O)c1cccc2[nH]c(-c3ccccc3O)nc12

 Safety Information

HS Code 2933990090

 Synthetic Route

~79%

2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-4-carboxylic acid Structure

2-(6-oxocyclohe...

CAS#:904817-12-5

Literature: Kaerkaes, Markus D.; Akermark, Torbjoern; Johnston, Eric V.; Karim, Shams R.; Laine, Tanja M.; Lee, Bao-Lin; Akermark, Tobias; Privalov, Timofei; Akermark, Bjoern Angewandte Chemie - International Edition, 2012 , vol. 51, # 46 p. 11589 - 11593 Angew. Chem., 2012 , vol. 124, # 46 p. 11757 - 11761,5

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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