Methyl 5-aminofuran-2-carboxylate

HCID 5072225

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Basic information

CAS: 22600-30-2
Standard SMILES: COC(=O)c1ccc(N)o1
InChIKey: KLKQGSISBRVCTK-UHFFFAOYSA-N
Molecular formula: C6H7NO3
Average molar mass: 141.12 g/mol
Monoisotopic mass: 141.04259308

Names & identifiers

Preferred name: Methyl 5-aminofuran-2-carboxylate
IUPAC: methyl 5-aminofuran-2-carboxylate
English name: Methyl 5-amino-2-furoate
Molecular formula: C6H7NO3
Molecular weight: 141.12

Names & synonyms

methyl 5-aminofuran-2-carboxylate22600-30-2DTXSID90408031RefChem:816883DTXCID70358883681-821-7methyl 5-amino-2-furoate5-aminofuran-2-carboxylic acid methyl esterMFCD00051661methyl 5-amino-2-furancarboxylatemethyl 5-amino-2-furatemethyl-2-amino-5-furoate

Show more names

5-Amino-2-furoicacidmethylester5-Aminofuroic acid methyl esterMethyl 2-aMino-furan-5-carboxylateMETHYL 5-AMINO-2-FUROATE USP/EP/BP2-Furancarboxylicacid,5-amino-,methylester(9CI)5-Aminofuran-2-carboxylic acid methyl ester~5-Amino-2-furoic acid methyl ester~Methyl 5-aminofuran-2-carboxylate

XAA60030methyl5-amino-2-furoateAS-10222EN300-271392-Furancarboxylic acid, 5-amino-, methyl esterFT-0628847SCHEMBL2231132-amino-5-methoxycarbonylfuran

Database identifiers

CAS: 22600-30-2
PubChem CID: 5072225
DTXSID: DTXSID90408031
EC Number: 681-821-7
Nikkaji: J725.599C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 132 · 132-134°C
Boiling point: 277.9 · 277.9±20.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -0.67 · -0.67±0.10(Predicted)
Appearance: Light brown to brown Solid
BRN: 1365799 · 1365799
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-43
Safety Statements: 22 · 22-24/25-36/37-26
HS Code: 2932190090 · 2932190090

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.