Name: 5-METHYLFURAN-2-CARBONYL CHLORIDE
SKU: 14003-11-3

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Basic Information

Molecular Structure:
CAS No.:	14003-11-3
Name:	5-METHYLFURAN-2-CARBONYL CHLORIDE
Article Data:	24

Formula:	C₆H₅ClO₂
Molecular Weight:	144.558
Synonyms:	2-Furoylchloride, 5-methyl- (6CI,8CI);5-Methyl-2-furoyl chloride;5-Methylfuran-2-carbonyl chloride;
Density:	1.258 g/cm³
Melting Point:	27-30 °C
Boiling Point:	201.6 °C at 760 mmHg
Flash Point:	75.7 °C
Solubility:	Reacts with water.
Hazard Symbols:	Xi
Risk Codes:	34-36
Safety:	26-36/37/39-36/37
Transport Information:	UN 3265
PSA:	30.21000
LogP:	1.96700

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Specification

The 2-Furancarbonylchloride, 5-methyl-, with the CAS registry number 14003-11-3, is also known as 5-Methyl-2-furoyl chloride. This chemical's molecular formula is C₆H₅ClO₂ and molecular weight is 144.56. What's more, its IUPAC name is 5-Methylfuran-2-carbonyl chloride. In addition, it must be stored in airtight containers filled with inert gases at room temperature. Meanwhile, it should be kept away from light, moisture, oxidant, alkali.

Physical properties about 2-Furancarbonylchloride, 5-methyl- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.5; (6)ACD/BCF (pH 7.4): 14.5; (7)ACD/KOC (pH 5.5): 236.01; (8)ACD/KOC (pH 7.4): 236.01; (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: 1.496; (14)Molar Refractivity: 33.62 cm³; (15)Molar Volume: 114.9 cm³; (16)Polarizability: 13.32×10^-24 cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 75.7 °C; (20)Enthalpy of Vaporization: 43.78 kJ/mol; (21)Boiling Point: 201.6 °C at 760 mmHg; (22)Vapour Pressure: 0.306 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1oc(cc1)C
(2) InChI: InChI=1/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
(3) InChIKey: ZURUVZFDEVKNCE-UHFFFAOYAZ