Isobutyryl Bromide
Basic information
- CAS
2736-37-0- Standard SMILES
CC(C)C(=O)Br- InChIKey
ICNCZFQYZKPYMS-UHFFFAOYSA-N- Molecular formula
- C4H7BrO
- Average molar mass
- 151 g/mol
- Monoisotopic mass
- 149.96803
Names & identifiers
- Preferred name
- Isobutyryl Bromide
- IUPAC
- 2-methylpropanoyl bromide
- English name
- ISOBUTYRYL BROMIDE
- Molecular formula
- C4H7BrO
- Molecular weight
- 151
Names & synonyms
Isobutyryl bromide2736-37-0DTXSID20334314RefChem:791680DTXCID30285404677-192-32-Methylpropanoyl bromideIsobutanoyl bromideMFCD00059468Propanoyl bromide, 2-methyl-isobutyrylbromid2-methyl-propanoyl bromide
Show more names
IsobutyrylBromide>Isobutyric acid bromideα-methylpropionyl bromide2-methyl-propanoylbromide
2-Methylpropanoyl bromide #SCHEMBL138447ICNCZFQYZKPYMS-UHFFFAOYSA-AKOS025295040BS-23582I0114D91083F842742
Database identifiers
- CAS
2736-37-0- PubChem CID
- 520309
- DTXSID
DTXSID20334314- EC Number
- 677-192-3
- Nikkaji
- J149.593C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 58.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 117 °C · 117°C
- Density
- 1 · 1,41 g/cm3
- refractive index
- 1.448 to · 1.4480 to 1.4520
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Symbol(GHS)
- 5 · GHS05,GHS02
- Signal word
- Danger
- Hazard statements
- 314 · H314-H226-H290
- Precautionary statements
- 501 · P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
- Risk Statements
- 10 · 10-34
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 2924 · 2924
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, 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. 3 (100%)
Safety data
- ridadr
- 2924
- hs_code
- 2914790090
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS02
- safety_code
- 16-26-36/37/39
- hazard_class
- 8/3
- packing_group
- II
- Hazard statements
- H314-H226-H290
- Precautionary statements
- P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Chemistry & industry
Applications
UsesIsobutyryl bromide is used as a synthetic intermediate for macromolecular active initiators in the field of organic synthesis.
Suppliers
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Related reactions
3 records
Compound notes
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