2,3-Dibromopropionic acid
Basic information
- CAS
600-05-5- Standard SMILES
O=C(O)C(Br)CBr- InChIKey
ZMYAKSMZTVWUJB-UHFFFAOYSA-N- Molecular formula
- C3H4Br2O2
- Average molar mass
- 231.87 g/mol
- Monoisotopic mass
- 229.8578
Names & identifiers
- Preferred name
- 2,3-Dibromopropionic acid
- IUPAC
- 2,3-dibromopropanoic acid
- English name
- 2,3-Dibromopropionic acid
- Molecular formula
- C3H4Br2O2
- Molecular weight
- 231.87
Names & synonyms
2,3-DIBROMOPROPIONIC ACID600-05-52,3-Dibromopropanoic acidPropanoic acid, 2,3-dibromo-Propionic acid, 2,3-dibromo-alpha,beta-Dibromopropionic acidMFCD00004212DTXSID30328322IIC1DOY4I.alpha.,.beta.-Dibromopropionic acidPropanoic acid,3-dibromo-Propionic acid,3-dibromo-
Show more names
RARECRARECHEM AL BO 12393-dibromopropionate2,3-Dibromopropionic3-DibroMoproanoic acid2,3-Dibromoproanoic acid2,3-dibromo-propionicaci2,3-dibromo-propanoicaci
NSC-1754-02-00-00767 (Beilstein Handbook Reference)PROPIONIC ACID, .ALPHA.,.BETA.-DIBROMO-2,3-Dibromopropionic acid Solution in Water, 1000ug/mLNSC 1752,3-DibromopropionicacidEINECS 209-981-1UNII-2IIC1DOY4I
Database identifiers
- CAS
600-05-5- PubChem CID
- 11746
- DTXSID
DTXSID3032832- ChEMBL
CHEMBL1399151- UNII
- 2IIC1DOY4I
- EC Number
- 209-981-1
- Nikkaji
- J2.724C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 73.3
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesSurface tension
Physical DescriptionLight yellow crystalline solid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 64 · 64-66 °C (lit.)
- Boiling point
- 160 °C/20 · 160 °C/20 mmHg (lit.)
- Density
- 2.0803 · 2.0803 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- Flash point
- -33 ℃ · -33℃
- storage temp.
- 2 · 2-8°C
- pka
- 1 · pK1:2.33 (25°C)
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- very faint turbidity
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 (93.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (93.3%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UF0660000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29159000
- risk_code
- 34-40-36/37/38-38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi,F
- safety_code
- 26-36/37/39-45-36-16-24-9
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,3-dibromo-: ACTIVE
Applications
Uses2,3-Dibromopropionic acid may be used as a surrogate standard for the quantification of haloacids in water samples using gas chromatography technique.
Uses2,3-Dibromopropionic acid was used in chemical shift imaging during analysis of multiple samples by multiplex sample NMR methodology. It was used as surrogate standard during extraction and determination of haloacetic acid in drinking water.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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