Basic information
- CAS
92108-02-6- Standard SMILES
CCOC(=O)c1ccc2c(c1)nc(C)n2CC- InChIKey
WFXZBJGTELYJQB-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
- IUPAC
- ethyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
- English name
- 1-Ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid ethyl ester
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
92108-02-6ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylateDTXSID90351098RefChem:342041DTXCID303021651-Ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid ethyl esterethyl 1-ethyl-2-methylbenzimidazole-5-carboxylateMFCD00447373ethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylateEthyl 1-ethyl-2-methyl-1H-benzo[d]imidazole-5-carboxylateEthyl 1-ethyl-2-methyl-benzimidazole-5-carboxylateSMR000118442
Show more names
1H-BenziMidazole-5-carboxylicacid, 1-ethyl-2-Methyl-, ethyl ester
MLS000121083CHEMBL1708675SCHEMBL14800064HMS1607A08HMS2350F05HMS5088E03SDA10802BBL003678
Database identifiers
- CAS
92108-02-6- PubChem CID
- 690728
- DTXSID
DTXSID90351098- ChEMBL
CHEMBL1708675
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 385.3 · 385.3±15.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 5.49 · 5.49±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers10 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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