Furil

HCID 68119

Notes Reactions

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Basic information

CAS: 492-94-4
Standard SMILES: O=C(C(=O)c1ccco1)c1ccco1
InChIKey: SXPUVBFQXJHYNS-UHFFFAOYSA-N
Molecular formula: C10H6O4
Average molar mass: 190.15 g/mol
Monoisotopic mass: 190.02660867

Names & identifiers

Preferred name: Furil
IUPAC: 1,2-bis(furan-2-yl)ethane-1,2-dione
English name: Furil
Molecular formula: C10H6O4
Molecular weight: 190.15

Names & synonyms

Furil492-94-4alpha-FurilEthanedione, di-2-furanyl-DTXSID30494133AFE4C3P1FNSC-5561DTXCID2029373RefChem:555722207-766-71,2-di(furan-2-yl)ethane-1,2-dioneBipyromucyl

Show more names

à-furilα-FurilDifuroylFuril>a,a-FurilFuril 98%alpha-furi

a-furil2,2'-FurilBipryomucylDi-2-furylglyoxalDifuranylglyoxal1,2-di-2-furyl-1,2-ethanedione1,2-bis(furan-2-yl)ethane-1,2-dioneDi-2-furanylethanedione

Database identifiers

CAS: 492-94-4
PubChem CID: 68119
DTXSID: DTXSID3049413
ChEMBL: CHEMBL371181
UNII: 3AFE4C3P1F
EC Number: 207-766-7
Nikkaji: J6.063A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 223

Experimental & physicochemical properties

Kovats Retention Index1544

Physicochemical properties

Melting point: 163 · 163-165 °C (lit.)
Boiling point: 245.64 °C · 245.64°C (rough estimate)
Density: 1.1083 · 1.1083 (rough estimate)
refractive index: 1.444 · 1.4440 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Yellow
BRN: 383882 · 383882
InChI: InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
InChIKey: SXPUVBFQXJHYNS-UHFFFAOYSA-N
SMILES: C(C1=CC=CO1)(=O)C(C1=CC=CO1)=O
CAS DataBase Reference: 492 · 492-94-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 AFE4C3P1F · 3AFE4C3P1F
NIST Chemistry Reference: -2 · Ethanedione, di-2-furanyl-(492-94-4)
EPA Substance Registry System: -2 · Ethanedione, di-2-furanyl- (492-94-4)
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-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 580000 · LV0580000
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: LV0580000
hs_code: 29321900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanedione, 1,2-di-2-furanyl-: INACTIVE

Applications

UsesFuril was used in preparation of dioxomolybdenum(VI) complexes in situ.

General DescriptionFuril undergoes catalytic asymmetric transfer hydrogenation to yield hydrofuroin.

Upstream & downstream products

Upstream raw materials

Downstream products

ALPHA-FURIL DIOXIME 1-[(Z)-Hydroxyimino]-2-[(E)-hydroxyimino]-1,2-di(2-furanyl)ethane 1,2-Bis(2-furanyl)ethane-1,2-dione di[(E)-oxime]

Suppliers94 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海凛南医药科技有限公司15900633975;13262632028

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

1 records

New reaction record

HRID 324963As reactantuspto-grants-2001_04

Compound notes

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