2,5-Dimethyl-3-furoyl Chloride

HCID 2734804CAS 50990-93-7

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Grundinformationen

Standard-SMILES: Cc1cc(C(=O)Cl)c(C)o1
InChIKey: RWORXZHVOUPMMM-UHFFFAOYSA-N
Summenformel: C7H7ClO2
Durchschnittliche Molmasse: 158,58 g/mol
Monoisotopische Masse: 158,01345714

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethyl-3-furoyl Chloride
IUPAC: 2,5-dimethylfuran-3-carbonyl chloride
Englischer Name: 2,5-DIMETHYLFURAN-3-CARBONYL CHLORIDE
Summenformel: C7H7ClO2
Molmasse: 158.58

Namen und Synonyme

2,5-Dimethyl-3-furoyl Chloride2,5-dimethyl-3-furancarbonyl chlorideRefChem:444534610-594-92,5-Dimethylfuran-3-carbonyl chloride50990-93-72,5-Dimethyl-furan-3-carbonyl chloride2,5-dimethylfuran-3-carbonylchlorideMFCD002210733-Furancarbonyl chloride, 2,5-dimethyl-SCHEMBL388833DTXSID00370513

Weitere Namen anzeigen

2,5-Dimethyl-3-furoylChloride>2,4-dimethylfuran-3-carbonyl chloride2,5-Dimethylfuran-3-carbonyl chloride,98%3-Furancarbonyl chloride, 2,5-dimethyl- (9CI)2,5-Dimethyl-3-Furancarbonyl chloride, oil, 95%

ALBB-011194BBL014856GEO-01192SBB050603STL197265AKOS005173306SB609692,5 dimethyl-furan-3-carbonyl chloride

Datenbank-Bezeichner

CAS: 50990-93-7
PubChem CID: 2734804
DTXSID: DTXSID00370513
EC Number: 610-594-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 20 °C · 20°C
Siedepunkt: 203 °C · 203 °C (lit.)
Dichte: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.507(lit.)
Flammpunkt: 198 °F · 198 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Wasserlöslichkeit: Reacts with water. Soluble in chloroform and ethyl acetate.
BRN: 116198 · 116198
InChI: 1S/C7H7ClO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3
InChIKey: RWORXZHVOUPMMM-UHFFFAOYSA-N
SMILES: Cc1cc(C(Cl)=O)c(C)o1
CAS Datenbank: 50990 · 50990-93-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1C (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2932190090
risk_code: 34-20/21/22
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenThey are admirably suited for studies on orientation of the furan nucleus, both by absolute and relative methods. In addition they make beta-substituted furans more accessible.