CAS 50990-93-7 2,5-Dimethyl-3-furoyl Chloride (HCID 2734804)

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Basic information

CAS: 50990-93-7
Standard SMILES: Cc1cc(C(=O)Cl)c(C)o1
InChIKey: RWORXZHVOUPMMM-UHFFFAOYSA-N
Molecular formula: C7H7ClO2
Average molar mass: 158.58 g/mol
Monoisotopic mass: 158.01345714

Names & identifiers

Preferred name: 2,5-Dimethyl-3-furoyl Chloride
IUPAC: 2,5-dimethylfuran-3-carbonyl chloride
English name: 2,5-DIMETHYLFURAN-3-CARBONYL CHLORIDE
Molecular formula: C7H7ClO2
Molecular weight: 158.58

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 20 °C · 20°C
Boiling point: 203 °C · 203 °C (lit.)
Density: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.507(lit.)
Flash point: 198 °F · 198 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Water Solubility: Reacts with water. Soluble in chloroform and ethyl acetate.
Sensitive: Moisture Sensitive
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 DataBase Reference: 50990 · 50990-93-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2932190090
risk_code: 34-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

UsesThey 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.