2-Furylglyoxylic acid

HCID 73846

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1467-70-5
Standard SMILES: O=C(O)C(=O)c1ccco1
InChIKey: IXVPCJUAKDVYKX-UHFFFAOYSA-N
Molecular formula: C6H4O4
Average molar mass: 140.09 g/mol
Monoisotopic mass: 140.01095861

Names & identifiers

Preferred name: 2-Furylglyoxylic acid
IUPAC: 2-(furan-2-yl)-2-oxoacetic acid
English name: (2-Furyl)glyoxylic acid
Molecular formula: C6H4O4
Molecular weight: 140.09

Names & synonyms

1467-70-52-(furan-2-yl)-2-oxoacetic acidalpha-Oxo-2-furanacetic acidalpha-Oxofuran-2-acetic acid2-Furylglyoxylic acid2-(2-furyl)-2-oxoacetic acidMQ4GX46XFF2-Furanyl(oxo)acetic acid2-Oxo-2-(2-furanyl)acetic acidEINECS 215-990-1NSC 59069NSC-59069

Show more names

FuroylforMic acidRARECHEM AL BO 11412-FURANGLYOXYLIC ACID2-Furanyloxoacetic aid2-Furanylglyoxylic aidLABOTEST-BB LT00847541Cefuroxime Impurity 98Cefuroxime Impurity 33Selumetinib Impurity 4

DTXSID70163454.ALPHA.-OXO-2-FURANACETIC ACIDRefChem:472799DTXCID6085945215-990-1(2-Furyl)glyoxylic acidMFCD000426712-Furanacetic acid, alpha-oxo-

Database identifiers

CAS: 1467-70-5
PubChem CID: 73846
DTXSID: DTXSID70163454
ChEMBL: CHEMBL299446
UNII: MQ4GX46XFF
EC Number: 215-990-1
Nikkaji: J206.673D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 67.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 92 · 92-97 ºC
Boiling point: 235 · 235.0±22.0 °C(Predicted)
Density: 1.423 · 1.423±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 2.02 · 2.02±0.54(Predicted)
color: Light Beige to Very Dark Brown
InChI: 1S/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)
InChIKey: IXVPCJUAKDVYKX-UHFFFAOYSA-N
SMILES: OC(=O)C(=O)c1ccco1
FDA UNII: 4 GX46XFF · MQ4GX46XFF
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: WGK 3
ridadr: 3261
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310