2-(3-Bromopropyl)-1H-benzo[d]imidazole
Basic information
- CAS
93483-94-4- Standard SMILES
BrCCCc1nc2ccccc2[nH]1- InChIKey
MNBKQKHVYFOCTC-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2
- Average molar mass
- 239.11 g/mol
- Monoisotopic mass
- 238.01056
Names & identifiers
- Preferred name
- 2-(3-Bromopropyl)-1H-benzo[d]imidazole
- IUPAC
- 2-(3-bromopropyl)-1H-benzimidazole
- English name
- 2-(3-Bromopropyl)benzimidazole
- Molecular formula
- C10H11BrN2
- Molecular weight
- 239.11
Names & synonyms
93483-94-42-(3-Bromopropyl)-1H-benzo[d]imidazole2-(3-Bromo-propyl)-1H-benzoimidazole2-(3-Bromopropyl)benzoimidazole2-(3-bromopropyl)-1H-1,3-benzodiazole2-(3-bromopropyl)-1H-benzimidazole2-(3-BROMOPROPYL)BENZIMIDAZOLESCHEMBL8326425DTXSID70424592AKOS0007132942-(3-Bromopropyl)-1H-1,3-benzimidazoleCS-0270466
Show more names
2-(3-bromopropyl)-3aH-benzimidazole1H-Benzimidazole, 2-(3-bromopropyl)-
ST50401558EN300-1894148
Database identifiers
- CAS
93483-94-4- PubChem CID
- 6488136
- DTXSID
DTXSID70424592
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 415.5 · 415.5±28.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.84 · 11.84±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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…