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CAS No.: | 6630-41-7 |
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Name: | 1-chloro-4-(3-chloro-1-methoxypropyl)benzene |
Molecular Structure: | |
Formula: | C10H12Cl2O |
Molecular Weight: | 219.111 |
Synonyms: | 3-Methoxy-3-(p-chlorophenyl)-1-chloropropane;NSC 60400; |
EINECS: | 229-624-3 |
Density: | 1.179 g/cm3 |
Boiling Point: | 277 °C at 760 mmHg |
Flash Point: | 67.3 °C |
PSA: | 9.23000 |
LogP: | 3.65640 |
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The Benzene, 1-chloro-4-(3-chloro-1-methoxypropyl)-, with the CAS registry number 6630-41-7, is also known as 3-Chloro-1-(4-chlorophenyl)propyl methyl ether. And its EINECS registry number is 229-624-3. This chemical's molecular formula is C10H12Cl2O and molecular weight is 219.10768. What's more, its IUPAC name is 1-Chloro-4-(3-chloro-1-methoxypropyl)benzene.
Physical properties about Benzene, 1-chloro-4-(3-chloro-1-methoxypropyl)- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 260.36; (6)ACD/BCF (pH 7.4): 260.36; (7)ACD/KOC (pH 5.5): 1864.99; (8)ACD/KOC (pH 7.4): 1864.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 56.56 cm3; (15)Molar Volume: 185.7 cm3; (16)Polarizability: 22.42×10-24 cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 67.3 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 277 °C at 760 mmHg; (22)Vapour Pressure: 0.00781 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(OC)CCCl
(2) InChI: InChI=1/C10H12Cl2O/c1-13-10(6-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
(3) InChIKey: WEMSZIUGMVBXTP-UHFFFAOYAT