Name: 3-(Chloromethyl)furan
SKU: 14497-29-1

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Basic Information

Molecular Structure:
CAS No.:	14497-29-1
Name:	3-(Chloromethyl)furan
Article Data:	15

Formula:	C₅H₅ClO
Molecular Weight:	116.547
Synonyms:	3-(Chloromethyl)furan;3-Furylmethyl chloride;
Density:	1.166g/cm³
Melting Point:	43-44 °C
Boiling Point:	133.402 °C at 760 mmHg
Flash Point:	34.481 °C
Appearance:	Light-colour to yellow clear liquid or solid
Hazard Symbols:	R36/37/38:;
Risk Codes:	R36/37/38;
Safety:	S26-36/37/39
PSA:	13.14000
LogP:	2.01840

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Specification

The 3-(Chloromethyl)furan with cas registry number of 14497-29-1, belongs to the following product categories: Furans. It has the systematic name of 3-(chloromethyl)furan. And it is also called furan, 3-(chloromethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 188; (8)ACD/KOC (pH 7.4): 188; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.14 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 28.318 cm³; (15)Molar Volume: 99.923 cm³; (16)Polarizability: 11.226×10^-24cm³; (17)Surface Tension: 31.384 dyne/cm; (18)Enthalpy of Vaporization: 35.559 kJ/mol; (19)Vapour Pressure: 10.438 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-(Chloromethyl)furan irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: ClCc1ccoc1
(2)InChI: InChI=1/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
(3)InChIKey: WECUIJXZKLGURU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
(5)Std. InChIKey: WECUIJXZKLGURU-UHFFFAOYSA-N