Basic information
- CAS
80573-34-8- Standard SMILES
CC(C)(Br)C(Br)C(=O)O- InChIKey
RWJNIIYQCXBZFS-UHFFFAOYSA-N- Molecular formula
- C5H8Br2O2
- Average molar mass
- 259.92 g/mol
- Monoisotopic mass
- 257.8891
Names & identifiers
- Preferred name
- 2,3-Dibromo-3-methylbutanoic acid
- IUPAC
- 2,3-dibromo-3-methylbutanoic acid
- English name
- 2,3-dibromo-3-methylbutanoic acid
- Molecular formula
- C5H8Br2O2
- Molecular weight
- 259.92
Names & synonyms
2,3-Dibromo-3-methylbutanoic acid80573-34-8DTXSID60337627RefChem:441969DTXCID90288714993-208-4MFCD162515352,3-Dibromo-3-methyl-butyric acidSCHEMBL113354362,3-Dibromo-3-methylbutanoicacidRWJNIIYQCXBZFS-UHFFFAOYSA-N2,3-dibromo-3-methyl-butanoic acid
Show more names
Butanoic acid, 2,3-dibromo-3-methyl-
2,3-Dibromo-3-methylbutanoic acid #AKOS015841142EN300-147102
Database identifiers
- CAS
80573-34-8- PubChem CID
- 543735
- DTXSID
DTXSID60337627- EC Number
- 993-208-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 102 · 102-104 °C
- Boiling point
- 265.6 · 265.6±25.0 °C(Predicted)
- Density
- 1.961 · 1.961±0.06 g/cm3(Predicted)
- pka
- 2.39 · 2.39±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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