Basic information
- CAS
137741-15-2- Standard SMILES
CC12CC(Br)(C1)C2- InChIKey
KAOMZYAXOQSYJB-UHFFFAOYSA-N- Molecular formula
- C6H9Br
- Average molar mass
- 161.04 g/mol
- Monoisotopic mass
- 159.98876
Names & identifiers
- Preferred name
- 1-Bromo-3-methylbicyclo[1.1.1]pentane
- IUPAC
- 1-bromo-3-methylbicyclo[1.1.1]pentane
- English name
- Bicyclo[1.1.1]pentane, 1-bromo-3-methyl- (9CI)
- Molecular formula
- C6H9Br
- Molecular weight
- 161.04
Names & synonyms
1-Bromo-3-methylbicyclo[1.1.1]pentane137741-15-2Bicyclo[1.1.1]pentane, 1-bromo-3-methyl- (9CI)AB93518CS-45534Bicyclo[1.1.1]pentane, 1-bromo-3-methyl-
Database identifiers
- CAS
137741-15-2- PubChem CID
- 10419476
- EC Number
- 190-871-4
- Nikkaji
- J595.550E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 97.6
Physicochemical properties
- Boiling point
- 127.2 · 127.2±9.0 °C(Predicted)
- Density
- 1.72 · 1.720±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
宁波苯康基石医药科技有限公司15990591583
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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