2,3-Dibromo-2-methylpropanoic acid
Basic information
- CAS
33673-74-4- Standard SMILES
CC(Br)(CBr)C(=O)O- InChIKey
UYCLMYDTNVHCAN-UHFFFAOYSA-N- Molecular formula
- C4H6Br2O2
- Average molar mass
- 245.9 g/mol
- Monoisotopic mass
- 243.87345
Names & identifiers
- Preferred name
- 2,3-Dibromo-2-methylpropanoic acid
- IUPAC
- 2,3-dibromo-2-methylpropanoic acid
- English name
- 2,3-Dibromo-2-methylpropionic acid
- Molecular formula
- C4H6Br2O2
- Molecular weight
- 245.9
Names & synonyms
2,3-dibromo-2-methylpropanoic acid33673-74-4DTXSID70388529RefChem:244472DTXCID00339529630-900-42,3-Dibromo-2-methylpropionic acid2,3-DibromoisobutyricacidMFCD001543292,3-dibromoisobutyric acid2,3-dibromo-2-methyl-propanoic AcidSCHEMBL6888659
Show more names
1，2-dibromo-1-methylpropionic acidPropanoic acid, 2,3-dibromo-2-methyl-
SCHEMBL281369022,3-dibromo-2-methyl-propionic acidAKOS000121197AKOS016890734AS-19248DB-019696CS-0215037EN300-21590
Database identifiers
- CAS
33673-74-4- PubChem CID
- 3020165
- DTXSID
DTXSID70388529- EC Number
- 630-900-4
- Nikkaji
- J88.877J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 48 · 48-49 °C
- Boiling point
- 106 · 106-109 °C(Press: 3 Torr)
- Density
- 2.127 · 2.127±0.06 g/cm3(Predicted)
- pka
- 2.3 · 2.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 317 · H317-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H317-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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Related reactions
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Compound notes
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