Isobutyl 2-bromopropionate
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Basic information
- CAS
69122-46-9- Standard SMILES
CC(C)COC(=O)C(C)Br- InChIKey
MAYJUJUXGCDPPX-UHFFFAOYSA-N- Molecular formula
- C7H13BrO2
- Average molar mass
- 209.08 g/mol
- Monoisotopic mass
- 208.00989176
Names & identifiers
- Preferred name
- Isobutyl 2-bromopropionate
- IUPAC
- 2-methylpropyl 2-bromopropanoate
- English name
- 2-BROMOPROPIONIC ACID ISOBUTYL ESTER
- Molecular formula
- C7H13BrO2
- Molecular weight
- 209.08
Names & synonyms
Isobutyl 2-bromopropionatePropanoic acid, 2-bromo-, 2-methylpropyl esterEINECS 273-886-1RefChem:791594273-886-169122-46-92-methylpropyl 2-bromopropanoateiso-Butyl 2-bromopropionate2-BROMOPROPIONICACIDISOBUTYLESTER2-methylpropyl2-bromopropanoatePropanoic acid,2-bromo-, 2-methylpropyl esterIsobutyl 2-bromopropanoate
Show more names
2-BROMOPROPIONIC ACID ISOBUTYL ESTER2-Bromopropanoic acid 2-methylpropyl ester
Isobutyl 2-bromopropanoate #SCHEMBL4413628DTXSID90988843AKOS016352947Propanoic acid, 2-bromo, isobutyl esterDA-335182-Bromopropionic acid, 2-methylpropyl esterNS00062109
Database identifiers
- CAS
69122-46-9- PubChem CID
- 522337
- DTXSID
DTXSID90988843- EC Number
- 273-886-1
- Nikkaji
- J332.809K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 67 · 67-69 °C(Press: 10 Torr)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H226
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H335-H319-H315-H226
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2-methylpropyl 2-bromopropanoate is a useful research chemical.
Related reactions
32 records
Compound notes
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