Basic information
- CAS
915920-40-0- Standard SMILES
Brc1cccc(OCCn2ccnc2)c1- InChIKey
VPVVZQWGTPPHAE-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O
- Average molar mass
- 267.12 g/mol
Names & identifiers
- Preferred name
- 1-(2-(3-Bromophenoxy)Ethyl)-1H-Imidazole
- IUPAC
- 1-[2-(3-bromophenoxy)ethyl]imidazole
- English name
- 1-[2-(3-bromophenoxy)ethyl]imidazole
- Molecular formula
- C11H11BrN2O
- Molecular weight
- 267.12
Names & synonyms
1-[2-(3-bromophenoxy)ethyl]-1H-imidazole1-(2-(3-Bromophenoxy)Ethyl)-1H-ImidazoleRefChem:421057109-161-2915920-40-01-[2-(3-bromophenoxy)ethyl]imidazoleSCHEMBL3581172CHEMBL1626023VPVVZQWGTPPHAE-UHFFFAOYSA-NAKOS008078846EN300-752521-[2-(3-bromo-phenoxy)-ethyl]-1H-imidazole
Show more names
1H-Imidazole, 1-[2-(3-bromophenoxy)ethyl]-
Z203972724
Database identifiers
- CAS
915920-40-0- PubChem CID
- 803108
- ChEMBL
CHEMBL1626023- EC Number
- 109-161-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 418.1 · 418.1±25.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 6.7 · 6.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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 CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
7 records
Compound notes
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