CAS 923-06-8 Bromosuccinic acid (HCID 73557)

Overview

Bromosuccinic acid is a dicarboxylic acid that is succinic acid substituted at position 2 by a bromine atom. It is a 2-bromocarboxylic acid and a dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a bromosuccinate.

Names & identifiers

Preferred name: Bromosuccinic acid
IUPAC: 2-bromobutanedioic acid
English name: Bromosuccinic acid
Molecular formula: C4H5BrO4
Molecular weight: 196.98

Names & synonyms

Bromosuccinic acid2-Bromosuccinic acid923-06-8Monobromosuccinic acidDL-bromosuccinic acidRS-bromosuccinic acid(+-)-bromosuccinic acidO3K54IBV7FCHEBI:73712NSC-2278722-bromobutanedioic acid;2-bromosuccinic acidRefChem:917613

Show more names

BromobutanedioicaicdMonobromosuccinicacidBromosuccinicacid,96%BroMosuccinic acid 98%

213-087-72-bromobutanedioic acidButanedioic acid, bromo-Bromobutanedioic acidSuccinic acid, bromo-MFCD00004213Bromosuccinic acid, 98%NSC 227872

Database identifiers

CAS: 923-06-8
PubChem CID: 73557
DTXSID: DTXSID70870797
ChEBI: CHEBI:73712
UNII: O3K54IBV7F
EC Number: 213-087-7
Nikkaji: J5.215I、J552E

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 133

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

Physicochemical properties

Melting point: 161 · 161-163 °C(lit.)
Boiling point: 255 ℃ · 255℃
Density: 2.073 · 2.073
refractive index: 1.462 · 1.4620 (estimate)
Flash point: 108 ℃ · 108℃
storage temp.: Refrigerator
solubility: Insoluble in ether.
pka: 1 · pK1: 2.55;pK2: 4.41 (25°C)
form: Solid
color: White
Water Solubility: 120 g/L · 120g/L(15.5 ºC)
Merck: 14 · 14,1437
BRN: 1723556 · 1723556
InChI: InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKey: QQWGVQWAEANRTK-UHFFFAOYSA-N
SMILES: C(O)(=O)C(Br)CC(O)=O
CAS DataBase Reference: 923 · 923-06-8(CAS DataBase Reference)
FDA UNII: 3 K54IBV7F · O3K54IBV7F
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/38
Safety Statements: 26 · 26-36
RIDADR: 1759 · 1759
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29171990 · 29171990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 1759
hs_code: 29171990
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Applications

UsesBromosuccinic acid is an important precursor in many chemicals used in the food, chemical and pharmaceutical fields. It is also used as a reagent to prepare L-Hydrazinosuccinic acid.