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Basic information
- CAS
23814-14-4- Standard SMILES
O=C(O)c1ccc2[nH]c(=O)[nH]c2c1- InChIKey
YIGYJEWJHOCKSR-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.03784206
Names & identifiers
- Preferred name
- 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
- IUPAC
- 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
- English name
- 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid
- Molecular formula
- C8H6N2O3
- Molecular weight
- 178.14
Names & synonyms
2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC ACIDRefChem:477693817-405-023814-14-42-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylic acid2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acidMFCD012331652-Oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-2-oxo-2-oxo-3-hydrobenzimidazole-5-carboxylic acid2,3-DIHYDRO-2-OXOBENZIMIDAZOLE-5-CARBOXYLIC ACID
Show more names
ZERENEX E/60265282-hydroxy-1H-benzo[d]imidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylicacid,2,3-dihydro-2-oxo-(9CI)
2-OXO-1,3-DIHYDRO-1,3-BENZODIAZOLE-5-CARBOXYLIC ACIDOprea1_047361SCHEMBL1095502SCHEMBL31721327DTXSID00354737YIGYJEWJHOCKSR-UHFFFAOYSA-NBBL012596SBB053281
Database identifiers
- CAS
23814-14-4
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers51 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
西安瑞成医药科技有限责任公司18220540598; 18291828687 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
13 records
Compound notes
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