2-Bromo-3-methylbut-2-enoic acid
Basic information
- CAS
1578-14-9- Standard SMILES
CC(C)=C(Br)C(=O)O- InChIKey
PKWKVTRJEOMTSE-UHFFFAOYSA-N- Molecular formula
- C5H7BrO2
- Average molar mass
- 179.01 g/mol
- Monoisotopic mass
- 177.96294
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Bromo-3-methylbut-2-enoic acid
- IUPAC
- 2-bromo-3-methylbut-2-enoic acid
- English name
- 3-bromosenecioic acid
- Molecular formula
- C5H7BrO2
- Molecular weight
- 179.01
Names & synonyms
2-bromo-3-methylbut-2-enoic acid1578-14-93-Bromosenecioic acid2-Bromo-3-methyl-2-butenoic acidDTXSID60935804RefChem:909674DTXCID601364429155-761-22-Butenoic acid, 2-bromo-3-methyl-Crotonic acid, 2-bromo-3-methyl-SCHEMBL14305122-bromo-3-methylbut-2-enoicacid
Show more names
PKWKVTRJEOMTSE-UHFFFAOYSA-NBAA578142-Bromo-3-methyl-2-butenoic acid #EN300-44105
Database identifiers
- CAS
1578-14-9- PubChem CID
- 543085
- DTXSID
DTXSID60935804- EC Number
- 155-761-2
- Nikkaji
- J896.293F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 133
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, 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 CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
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Compound notes
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