Isoamyl alpha-bromophenylacetate
Basic information
- CAS
92018-48-9- Standard SMILES
CC(C)CCOC(=O)C(Br)c1ccccc1- InChIKey
CKPGTYLPMYKUDW-UHFFFAOYSA-N- Molecular formula
- C13H17BrO2
- Average molar mass
- 285.18 g/mol
- Monoisotopic mass
- 284.04119
Names & identifiers
- Preferred name
- Isoamyl alpha-bromophenylacetate
- IUPAC
- 3-methylbutyl 2-bromo-2-phenylacetate
- English name
- Isoamyl alpha-bromophenylacetate
- Molecular formula
- C13H17BrO2
- Molecular weight
- 285.1832
Names & synonyms
Isoamyl Alpha-BromophenylacetateRefChem:791541654-641-13-methylbutyl bromo(phenyl)acetate92018-48-93-methylbutyl 2-bromo-2-phenylacetateIsopentyl 2-bromo-2-phenylacetateNSC163347DTXSID10303897AKOS024332278NSC-163347CKPGTYLPMYKUDW-UHFFFAOYSA-N
Show more names
Isoamyl α-BromophenylacetateBenzeneacetic acid, α-bromo-, 3-methylbutyl ester
Database identifiers
- CAS
92018-48-9- PubChem CID
- 294567
- DTXSID
DTXSID10303897- EC Number
- 654-641-1
- Nikkaji
- J31.479J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 187 · 187-188 °C(Press: 40 Torr)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H413-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
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, P271, P273, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H413-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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