Basic information
- CAS
3319-28-6- Standard SMILES
CC(O)c1nc2ccccc2n1C- InChIKey
HXNWGBPRRHESCL-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- Ethanol, 1-(1-methyl-2-benzimidazolyl)-
- IUPAC
- 1-(1-methylbenzimidazol-2-yl)ethanol
- English name
- 1H-Benzimidazole-2-methanol,alpha,1-dimethyl-(9CI)
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
3319-28-61-(1-Methyl-2-benzimidazolyl)ethanol1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-olEthanol, 1-(1-methyl-2-benzimidazolyl)-2-(2-Hydroxyethyl)-3-methylbenzimidazoleNSC 44964BRN 01499242-Benzimidazolemethanol, alpha,1-dimethyl-5-23-11-00362 (Beilstein Handbook Reference)RefChem:5918762-Benzimidazolemethanol, alpha,1-dimethyl-(8CI)107-436-1
Show more names
α,1-Dimethyl-1H-benzimidazole-2-methanolα,1-Dimethyl-1H-benzimidazole-2-methanol1H-Benzimidazole-2-methanol, α,1-dimethyl-1-(1-Methyl-1H-benzo[d]imidazol-2-yl)ethan-1-ol - [M92483]
1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethan-1-ol1-(1-methylbenzimidazol-2-yl)ethanol1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethanol1H-Benzimidazole-2-methanol,alpha,1-dimethyl-(9CI)NSC-44964F0783-00591-(1-methylbenzimidazol-2-yl)ethan-1-olNSC44964
Database identifiers
- CAS
3319-28-6- PubChem CID
- 97831
- DTXSID
DTXSID301384939- ChEMBL
CHEMBL457956- UNII
- XWB7AT8L5C
- EC Number
- 107-436-1
- Nikkaji
- J49.840H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- Boiling point
- 343.1 · 343.1±25.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.86 · 13.86±0.20(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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