2-Furancarboxylic acid, hydrazide

HCID 18731CAS 3326-71-4

Substructure search Find similar structures

Basic information

Standard SMILES: NNC(=O)c1ccco1
InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N
Molecular formula: C5H6N2O2
Average molar mass: 126.11 g/mol
Monoisotopic mass: 126.04292743

Names & identifiers

Preferred name: 2-Furancarboxylic acid, hydrazide
IUPAC: furan-2-carbohydrazide
English name: Furan-2-carbohydrazide
Molecular formula: C5H6N2O2
Molecular weight: 126.11

Names & synonyms

3326-71-42-Furoic acid hydrazide2-Furancarboxylic acid, hydrazideDTXSID10186900RefChem:472793DTXCID10109391222-046-2furan-2-carbohydrazide2-Furoic hydrazide2-FurohydrazideFuroylhydrazide2-furancarboxylic acid hydrazide

Show more names

AKOS BBS-00004105SPECS AN-068/40170015pyromucicacidhydrazide2-Furoic hydrazide 98%

2-Furancarbohydrazide2-FuroylhydrazideMFCD00003235Furoic acid, hydrazide2-Furylcarbonylhydrazide2-Furancarbohydrazonic acid2-FUROIC ACID, HYDRAZIDEPyromucic acid hydrazide

Database identifiers

CAS: 3326-71-4
PubChem CID: 18731
DTXSID: DTXSID10186900
ChEMBL: CHEMBL340492
UNII: PN5GP9E5FT
EC Number: 222-046-2
Nikkaji: J1.821J

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 68.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 77 · 77-79 °C (lit.)
Boiling point: 279 °C · 279°C(lit.)
Density: 1.3541 · 1.3541 (rough estimate)
refractive index: 1.509 · 1.5090 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: Crystals
pka: 12.18 · 12.18±0.10(Predicted)
color: Beige
BRN: 114435 · 114435
InChI: InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N
SMILES: O1C=CC=C1C(NN)=O
CAS DataBase Reference: 3326 · 3326-71-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 22 · 22-24/25-36/37/39-26
WGK Germany: 3 · 3
RTECS: 1925000 · LV1925000
HS Code: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: LV1925000
hs_code: 29321900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS06
hazard_code: Xn
safety_code: 22-24/25-36/37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H301-H315-H319-H335
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Furoic hydrazide (2-Furoylhydrazine) was used to study the Fourier transform infrared spectra, 1H NMR and 13C NMR spectra. It was also used as a reagent for determination of carbohydrates.