CAS 16533-72-5 cis-Epoxysuccinate (HCID 2734802)

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Basic information

CAS: 16533-72-5
Standard SMILES: O=C(O)[C@H]1O[C@H]1C(=O)O
InChIKey: DCEMCPAKSGRHCN-XIXRPRMCSA-N
Molecular formula: C4H4O5
Average molar mass: 132.07 g/mol

Names & identifiers

Preferred name: cis-Epoxysuccinate
IUPAC: (2R,3S)-oxirane-2,3-dicarboxylic acid
English name: cis-Epoxysuccinic acid
Molecular formula: C4H4O5
Molecular weight: 132.07

Names & synonyms

cis-epoxysuccinateRefChem:577397cis-Epoxysuccinic acid16533-72-5(2R,3S)-oxirane-2,3-dicarboxylic acid2,3-Oxiranedicarboxylic acid, (2R,3S)-rel-MFCD00191645cis-2,3-Oxiranedicarboxylic acidcis-2,3 expoxysuccinatecis-2,3-Epoxysuccinic acidcis-AthylenoxiddicarbonsA currencyureGEO-01295

Show more names

epoxysuccinicacidicisi-EpoxysuccinicAcicis-EpoxysuccinicAcid>cis-Epoxysuccinic acid,97%Cis-oxirane-2,3-dicarboxylic acidcis-Ethyleneoxidedicarboxylic acid

NCGC00013522NCGC00013522-02(2S,3R)-oxirane-2,3-dicarboxylic acidAS-65405HY-125791CS-0099343E0449D90518

Database identifiers

CAS: 16533-72-5、2222820-55-3
PubChem CID: 2734802
DTXSID: DTXSID401016953
ChEMBL: CHEMBL1741775
EC Number: 240-604-3
Nikkaji: J27.177B

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 144

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point: 148 · 148-149 °C
Boiling point: 467.5 · 467.5±45.0 °C(Predicted)
Density: 1.92 · 1.920±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Methanol
form: powder to crystal
pka: 1 · pK1:1.93;pK2:3.92 (25°C)
color: White to Almost white
CAS DataBase Reference: 16533 · 16533-72-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315

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 2 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 Irrit. 2 (100%)

Safety data

hs_code: 2910900090
risk_code: 34-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
safety_code: 45-36/37/39-26
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P