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Cas Database |
| Name |
Benzene,[(3-chloropropoxy)methyl]- |
EINECS | N/A |
| CAS No. | 26420-79-1 | Density | 1.067 g/cm3 |
| PSA | 9.23000 | LogP | 2.83210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H13ClO | Boiling Point | 250 °C at 760 mmHg |
| Molecular Weight | 184.666 | Flash Point | 109.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ether,benzyl 3-chloropropyl (6CI,8CI);1-Benzyloxy-3-chloropropane;1-Chloro-3-benzyloxypropane;3-Benzyloxy-1-chloropropane;3-Chloro-1-benzyloxypropane;Benzyl 3-chloropropyl ether;NSC 6169; |
Article Data | 17 |
Benzene,[(3-chloropropoxy)methyl]- Specification
The Benzene,[(3-chloropropoxy)methyl]-, with the CAS registry number 26420-79-1, is also known as 1-(Benzyloxy)-3-chloropropane and 1-Chloro-3-benzyloxypropane. This chemical's molecular formula is C10H13ClO and molecular weight is 184.66. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloropropoxymethylbenzene.
Physical properties about Benzene,[(3-chloropropoxy)methyl] are: (1)ACD/LogP: 2.94; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.509; (8)Molar Refractivity: 51.66 cm3; (9)Molar Volume: 173 cm3; (10)Polarizability: 20.48×10-24cm3; (11)Surface Tension: 35.2 dyne/cm; (12) Density: 1.067 g/cm3; (13)Flash Point: 109.9 °C; (14)Enthalpy of Vaporization: 46.76 kJ/mol; (15)Boiling Point: 250 °C at 760 mmHg; (16) Vapour Pressure: 0.0351 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCCOCc1ccccc1
(2) InChI: InChI=1/C10H13ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
(3) InChIKey: XYQPOKBAQDQMQP-UHFFFAOYAE
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