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3-(Chloromethyl)furan

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Name

3-(Chloromethyl)furan

EINECS N/A
CAS No. 14497-29-1 Density 1.166g/cm3
PSA 13.14000 LogP 2.01840
Solubility N/A Melting Point 43-44 °C
Formula C5H5ClO Boiling Point 133.402 °C at 760 mmHg
Molecular Weight 116.547 Flash Point 34.481 °C
Transport Information N/A Appearance Light-colour to yellow clear liquid or solid
Safety S26-36/37/39 Risk Codes R36/37/38;
Molecular Structure Molecular Structure of 14497-29-1 (3-(Chloromethyl)furan) Hazard Symbols R36/37/38:;
Synonyms

3-(Chloromethyl)furan;3-Furylmethyl chloride;

Article Data 15

3-(Chloromethyl)furan 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

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