CAS No.50990-93-7,2,5-DIMETHYLFURAN-3-CARBONYL CHLORIDE Suppliers,MSDS download

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Molecular Structure:
CAS No.:	50990-93-7
Name:	2,5-DIMETHYLFURAN-3-CARBONYL CHLORIDE
Article Data:	6

Formula:	C₇H₇ClO₂
Molecular Weight:	158.584
Synonyms:	2,5-Dimethyl-3-furancarbonylchloride;2,5-Dimethyl-3-furoyl chloride;2,5-dimethylfuran-3-carbonyl chloride;3-Furancarbonyl chloride, 2,5-dimethyl-;
EINECS:	-0
Density:	1.208 g/cm³
Melting Point:	20°C
Boiling Point:	202.2 °C at 760 mmHg
Flash Point:	76.1 °C
Solubility:	Reacts with water. Soluble in chloroform and ethyl acetate.
Appearance:	Colorless to light yellow liquid
Hazard Symbols:	C
Risk Codes:	34-20/21/22
Safety:	26-36/37/39-45
Transport Information:	UN 3265 8/PG 2
PSA:	30.21000
LogP:	2.27540

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Specification

The 3-Furancarbonylchloride, 2,5-dimethyl-, with the CAS registry number 50990-93-7, has the systematic name and IUPAC name of 2,5-dimethylfuran-3-carbonyl chloride. It is a kind of colorless to light yellow liquid, and belongs to the following product categories: Acidhalide; Furan & Benzofuran; API intermediates; Building Blocks; Furans; Heterocyclic Building Blocks. And the molecular formula of the chemical is C₇H₇ClO₂.

The characteristics of 3-Furancarbonylchloride, 2,5-dimethyl- are as followings: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.44; (6)ACD/BCF (pH 7.4): 32.44; (7)ACD/KOC (pH 5.5): 419.97; (8)ACD/KOC (pH 7.4): 419.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.21 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 38.44 cm³; (15)Molar Volume: 131.1 cm³; (16)Polarizability: 15.24×10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 43.84 kJ/mol; (21)Boiling Point: 202.2 °C at 760 mmHg; (22)Vapour Pressure: 0.296 mmHg at 25°C.

Uses of 3-Furancarbonylchloride, 2,5-dimethyl-: It can react with thiocyanic acid; potassium salt to produce 2,5-dimethyl-3-furoyl isothiocyanate. This reaction will need reagent acetone. The reaction time is 15 minutes with heating, and the yield is about 78%.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, what's more, if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Cl)c1c(oc(c1)C)C
(2)InChI: InChI=1/C7H7ClO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3
(3)InChIKey: RWORXZHVOUPMMM-UHFFFAOYAK