2-Furanacrylic acid

HCID 643402CAS 15690-24-1

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Basic information

Standard SMILES: O=C(O)/C=C/c1ccco1
InChIKey: ZCJLOOJRNPHKAV-ONEGZZNKSA-N
Molecular formula: C7H6O3
Average molar mass: 138.12 g/mol
Monoisotopic mass: 138.03169405

Overview

See also: Furylacrylic acid (annotation moved to).

Names & identifiers

Preferred name: 2-Furanacrylic acid
IUPAC: (E)-3-(furan-2-yl)prop-2-enoic acid
English name: (E)-3-(furan-2-yl)acrylic acid
Molecular formula: C7H6O3
Molecular weight: 138.12

Names & synonyms

15690-24-1Furacrylic acid2-FURANACRYLIC ACID2-Furalacetic acid2-Furanacrylic acid, (E)-M2U24OA3UJNSC-32626NSC-74521RefChem:1063193208-718-83-(2-Furyl)acrylic acid(E)-3-(furan-2-yl)acrylic acid

Show more names

-3-(Furan-2-yl)(E)-3-FURAN-2-YL-ACRYLIC ACID(2E)-3-(Furan-2-yl)-acrylic acid(2E)-3-(2-Furanyl)-2-propenoic acid(E)-3-(Furan-2-yl)acrylic acid - [F90450]

Furfurylideneacetic acid(2E)-3-(furan-2-yl)prop-2-enoic acid3-(Furan-2-yl)acrylic acid2-Propenoic acid, 3-(2-furanyl)-, (2E)-Furan-2-acrylic acid3-(2-Furyl)propenoic acid(E)-3-(2-furyl)prop-2-enoic acidtrans-2-Furanacrylic acid

Database identifiers

CAS: 15690-24-1、539-47-9
PubChem CID: 643402
DTXSID: DTXSID50901230
ChEMBL: CHEMBL1771761
UNII: M2U24OA3UJ
EC Number: 821-958-3
Nikkaji: J1.100.541A、J6.383E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 141 °C · 141 °C
Boiling point: 286 · 286.0±0.0 °C(Predicted)
Density: 1.28 · 1.280±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 4.39 · 4.39±0.10(Predicted)
color: Pale Beige
Stability: Light Sensitive
FDA UNII: 2 U24OA3UJ · M2U24OA3UJ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P