5-(4-Chlorophenyl)-2-furoic acid (HCID 726693)

Overview

5-(4-Chlorophenyl)-2-furoic acid is a furoic acid.

Names & identifiers

Preferred name: 5-(4-Chlorophenyl)-2-furoic acid
IUPAC: 5-(4-chlorophenyl)furan-2-carboxylic acid
English name: 5-(4-Chlorophenyl)-2-furoic acid
Molecular formula: C11H7ClO3
Molecular weight: 222.62

Names & synonyms

5-(4-Chlorophenyl)-2-furoic acid41019-45-8DTXSID10352441RefChem:299878DTXCID80303506628-208-25-(4-chlorophenyl)furan-2-carboxylic Acid5-(4-Chloro-phenyl)-furan-2-carboxylic acidMFCD002165872-Furancarboxylic acid, 5-(4-chlorophenyl)-CHEMBL197430Acid, 62

Show more names

AKOS BAR-0043ASISCHEM T31175IFLAB-BB F0722-7390ART-CHEM-BB B025312RARECHEM AL BO 1471TIMTEC-BB SBB0033385-(4-chlorophenyl)-2-acid5-(4-Chlorphenyl)-furan-2-carbonsure5-(4-Chlorophenyl)-2-furoic acid 97%

5-(p-chlorophenyl)furoic acid5-(4-chlorophenyl)furoic acidorb3030787SCHEMBL12862185-(p-Chlorophenyl)-2furoic acidCHEBI:194673XIPQHWUSDHTXOO-UHFFFAOYSA-NBDBM773771

Database identifiers

CAS: 41019-45-8
PubChem CID: 726693
DTXSID: DTXSID10352441
ChEMBL: CHEMBL197430
ChEBI: CHEBI:194673
EC Number: 628-208-2
Nikkaji: J1.044.107B

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 198 · 198-201 °C (dec.)(lit.)
Boiling point: 394.4 · 394.4±32.0 °C(Predicted)
Density: 1.374 · 1.374±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 3 · 3.00±0.10(Predicted)
form: Powder
color: Pale brown
InChI: 1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey: XIPQHWUSDHTXOO-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(o1)-c2ccc(Cl)cc2
CAS DataBase Reference: 41019 · 41019-45-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 39 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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29321900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses5-(4-Chlorophenyl)-2-furoic acid (5-(4-chlorophenyl)-2-furancarboxylic acid) is a 5-aryl-2-furancarboxylic acid. It has been synthesized by oxidation of the corresponding furaldehyde with silver nitrate and sodium hydroxide. It serves as an intermediate for the synthesis of 5-(5-aryl-2-furyl)-tetrazol-1-ylacetic acids, which are employed in the synthesis of semisynthetic cephalosporines.

General Description5-(4-Chlorophenyl)-2-furoic acid (5-(4-chlorophenyl)-2-furancarboxylic acid) is a 5-aryl-2-furancarboxylic acid. It has been synthesized by oxidation of the corresponding furaldehyde with silver nitrate and sodium hydroxide. It serves as an intermediate for the synthesis of 5-(5-aryl-2-furyl)-tetrazol-1-ylacetic acids, which are employed in the synthesis of semisynthetic cephalosporines.