Basic information
- CAS
83961-13-1- Standard SMILES
C#CCC(C)Br- InChIKey
UAJKNRZBWKPSJO-UHFFFAOYSA-N- Molecular formula
- C5H7Br
- Average molar mass
- 147.01 g/mol
- Monoisotopic mass
- 145.97311
Names & identifiers
- Preferred name
- 4-Bromopent-1-yne
- IUPAC
- 4-bromopent-1-yne
Names & synonyms
4-bromopent-1-yne83961-13-1RefChem:520525894-911-8SCHEMBL22288480EN300-4276556
Database identifiers
- CAS
83961-13-1- PubChem CID
- 12820050
- EC Number
- 894-911-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 67.3
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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