Ethyl 5-(chloromethyl)-2-furancarboxylate (HCID 263166)

Names & identifiers

Preferred name: Ethyl 5-(chloromethyl)-2-furancarboxylate
IUPAC: ethyl 5-(chloromethyl)furan-2-carboxylate
English name: Ethyl 5-(chloromethyl)-2-furancarboxylate
Molecular formula: C8H9ClO3
Molecular weight: 188.61

Names & synonyms

Ethyl 5-(chloromethyl)-2-furancarboxylateRefChem:595589671-714-32528-00-9ethyl 5-(chloromethyl)furan-2-carboxylateethyl 5-(chloromethyl)-2-furoateEthyl 5-Chloromethyl-2-furancarboxylateEthyl 5-chloromethyl-2-furoateMFCD001738375-Chloromethyl-2-furancarboxylic Acid Ethyl EsterNSC975182-Furancarboxylic acid, 5-(chloromethyl)-, ethyl ester

Show more names

NSC 97518BUTTPARK 96\50-29Ethyl 5-(chloromethyl)-2-furoate 95+%Ethyl 5-(chloromethyl)-2-furancarboxyEthyl 5-(chloromethyl)-2-furoate, GC 95%5-(chloromethyl)-3-ethyl-2-furancarboxylateEthyl 5-Chloromethyl-2-furancarboxylate >

SCHEMBL852957ethyl 2-chloromethyl-5-furoateDTXSID90294638JBACYJRMCXLIQU-UHFFFAOYSA-NGEO-01329NSC-97518SBB054930AKOS002663472

Database identifiers

CAS: 2528-00-9
PubChem CID: 263166
DTXSID: DTXSID90294638
EC Number: 671-714-3
Nikkaji: J790.267K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 115 °C0.015 · 115 °C0.015 mm Hg(lit.)
Density: 1.225 g/mL · 1.225 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.511(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.225 · 1.225
color: Clear yellow
InChI: 1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChIKey: JBACYJRMCXLIQU-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(CCl)o1
CAS DataBase Reference: 2528 · 2528-00-9(CAS DataBase Reference)
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+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 38 · 38
Safety Statements: 37 · 37
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29321900 · 29321900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29321900
risk_code: 38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 37
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

UsesEthyl 5-(chloromethyl)-2-furancarboxylate may be employed for the synthesis of a series of novel sulfamide- and urea-based small-molecule antagonists of the protein-protein interaction IL-2/IL-2Rα. It may be employed as starting material for the synthesis of 5-hydroxymethylfuran-2-carboxylic acid.