Basic information
- CAS
60277-69-2- Standard SMILES
CCCCOC(=O)C(C)(C)Br- InChIKey
BOWQDFRKKXVCCI-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554182
Names & identifiers
- Preferred name
- Butyl 2-bromo-2-methylpropanoate
- IUPAC
- butyl 2-bromo-2-methylpropanoate
- English name
- 2-Bromoisobutyric acid n-butyl ester
- Molecular formula
- C8H15BrO2
- Molecular weight
- 223.11
Names & synonyms
butyl 2-bromo-2-methylpropanoateButyl 2-bromo-2-methylpropionateEINECS 262-141-6DTXSID00975688RefChem:571651DTXCID701403084262-141-660277-69-22-BROMOISOBUTYRIC ACID N-BUTYL ESTER2-bromoisobutyric acid-n-butyl esterBrom-isobuttersaures n-ButylSCHEMBL649873
Show more names
2-bromoisobutyric acid butyl ester2-Bromo-2-methylpropanoic acid butyl esterPropanoic acid, 2-bromo-2-methyl-, butyl ester
SCHEMBL4953948SCHEMBL49539532-bromo-2-methyl-propanoic acid butylesterNS00056164
Database identifiers
- CAS
60277-69-2- PubChem CID
- 108915
- DTXSID
DTXSID00975688- EC Number
- 262-141-6
- Nikkaji
- J298.814C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
2 records
Compound notes
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