Basic information
- CAS
32777-03-0- Standard SMILES
O=C(O)C(O)CBr- InChIKey
UKORLVILOUWVTJ-UHFFFAOYSA-N- Molecular formula
- C3H5BrO3
- Average molar mass
- 168.97 g/mol
- Monoisotopic mass
- 167.94221
Names & identifiers
- Preferred name
- 3-Bromolactic acid
- IUPAC
- 3-bromo-2-hydroxypropanoic acid
- English name
- 3-bromolactic acid
- Molecular formula
- C3H5BrO3
- Molecular weight
- 168.97
Names & synonyms
3-Bromolactic acid32777-03-0Propanoic acid, 3-bromo-2-hydroxy-24IBD46Q2ERefChem:4993543-bromo-2-hydroxypropanoic acid(+/-)-3-bromolactic acidNSC-1594023-BromolactateUNII-24IBD46Q2ENSC 159402SCHEMBL529911
Show more names
3-bromo-2-hydroxypropanoicacid.BETA.-BROMOLACTIC ACIDLACTIC ACID, 3-BROMO-NSC1594023-BROMOLACTIC ACID, (+/-)-DB-204258EN300-189697Q27253853
Database identifiers
- CAS
32777-03-0- PubChem CID
- 98978
- UNII
- 24IBD46Q2E
- EC Number
- 824-175-5
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.6
Physicochemical properties
- Boiling point
- 314 · 314.0±27.0 °C(Predicted)
- Density
- 2.017 · 2.017±0.06 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.11(Predicted)
- FDA UNII
- 24 IBD46Q2E · 24IBD46Q2E
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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