Basic information
- CAS
526-78-3- Standard SMILES
O=C(O)C(Br)C(Br)C(=O)O- InChIKey
FJWGRXKOBIVTFA-UHFFFAOYSA-N- Molecular formula
- C4H4Br2O4
- Average molar mass
- 275.88 g/mol
- Monoisotopic mass
- 273.84763281
Names & identifiers
- Preferred name
- 2,3-Dibromosuccinic acid
- IUPAC
- 2,3-dibromobutanedioic acid
- English name
- 2,3-Dibromosuccinic acid
- Molecular formula
- C4H4Br2O4
- Molecular weight
- 275.88
Names & synonyms
2,3-Dibromosuccinic acid526-78-3Butanedioic acid, 2,3-dibromo-sym.-Dibromosuccinic acidNSC 1904NSC-1904EINECS 208-396-9AI3-07663Succinic acid, 2,3-dibromo-SQ732R1YH1DTXSID00862120.alpha.,.beta.-Dibromosuccinic acid
Show more names
(2R,3S)-2,3-Dibromosuccinic acidDibromosucinic acidDibromosuccinicacidmeso-2,3-Dibromosucc3-Dibromosuccinicacid2,3-Dibromosucinic Acidsym-Dibromosucci-nicacid
NSC-119053sym.Dibromosuccinic acidRefChem:4419952,3Dibromobutanedioic acidSuccinic acid, 2,3dibromoButanedioic acid, 2,3dibromoalpha,beta-Dibromosuccinic acidalpha, alpha'Dibromosuccinic acid
Database identifiers
- CAS
526-78-3、608-36-6- PubChem CID
- 95324
- DTXSID
DTXSID00862120- ChEMBL
CHEMBL1974768- EC Number
- 208-396-9
- Nikkaji
- J416B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionSolid; [Merck Index] White crystals.
Physicochemical properties
- Melting point
- 274 °C · 274 °C (subl.)
- Boiling point
- 275 ℃ · 275℃(subl.)
- Density
- 2.295 · 2.2950 (rough estimate)
- refractive index
- 1.484 · 1.4840 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- form
- Solid
- pka
- 1.8 · 1.80±0.28(Predicted)
- color
- White to off-white
- Water Solubility
- 20 g/L · 20g/L(17 ºC)
- Merck
- 13 · 13,3054
- InChI
- InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)
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 (97.8%): 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.
Hazard information
Regulatory InformationStatus: Active Update: 16-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18721
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (97.8%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29171990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2,3-dibromo-: ACTIVE
Applications
Uses2,3-Dibromosuccinic acid is an isomer of (±)-2,3-dibromosuccinic acid (HY-133681) and can be used as an experimental control. (±)-2,3-Dibromosuccinic acid is a key intermediate in the synthesis of dicarboxylic acid derivatives.
Upstream & downstream products
Downstream products
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Related reactions
3 records
Compound notes
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