Basic information
- CAS
939-70-8- Standard SMILES
CC(=O)c1nc2ccccc2[nH]1- InChIKey
UYFMRVDIXXOWLR-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 1-(1H-Benzimidazol-2-yl)ethanone
- IUPAC
- 1-(1H-benzimidazol-2-yl)ethanone
- English name
- 2-Acetylbenzimidazole
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
1-(1H-benzimidazol-2-yl)ethanoneRefChem:420038873-886-72-Acetylbenzimidazole939-70-81-(1H-benzo[d]imidazol-2-yl)ethanone2-acetyl benzimidazoleEthanone, 1-(1H-benzimidazol-2-yl)-MFCD001599941-(1H-1,3-Benzodiazol-2-Yl)Ethan-1-One1-(1H-1,3-Benzimidazol-2-yl)-1-ethanone2-acetylbenzoimidazole
Show more names
CHEMBRDG-BB 40095701-(1H-BENZOIMIDAZOL-2-YL)-ETHANONEEthanone, 1-(1H-benzimidazol-2-yl)- (9CI)1-(1H-benzenebenzo[d]imidazole-2-yl)ethylone1-(1H-benzimidazol-2-yl)ethanone(SALTDATA: FREE)
A1CQCM11 2-AcetylbenzimidazoleF2101-0111SCHEMBL1132610SCHEMBL1145310DTXSID90239867UYFMRVDIXXOWLR-UHFFFAOYSA-NALBB-020352
Database identifiers
- CAS
939-70-8- PubChem CID
- 70322
- DTXSID
DTXSID90239867- EC Number
- 873-886-7
- Nikkaji
- J35.857F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 180 · 180-181 °C(Solv: water (7732-18-5))
- Boiling point
- 347.4 · 347.4±25.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.46 · 10.46±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 939 · 939-70-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
扬州倍尔盾新材料科技有限公司13776432722 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
4 records
Compound notes
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