Benzene,1-chloro-4-(phenylmethoxy)- supplier

Name
4-BENZYLOXYCHLOROBENZENE
EINECS
CAS No. 7700-27-8
Article Data39
CAS DataBase
Density 1.175 g/cm³
Solubility
Melting Point 70 °C
Formula C₁₃H₁₁ClO
Boiling Point 321 °C at 760 mmHg
Molecular Weight 218.683
Flash Point 149 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms p-(Benzyloxy)chlorobenzene;p-Chlorophenyl benzyl ether;Ether,benzyl p-chlorophenyl (6CI,8CI);1-Chloro-4-(phenylmethoxy)benzene;4-Chlorophenyl benzyl ether;Benzyl 4-chlorophenyl ether;Benzyl p-chlorophenylether;
PSA 9.23000
LogP 3.91900

Benzene,1-chloro-4-(phenylmethoxy)- Specification

The Benzene, 1-chloro-4-(phenylmethoxy)-, with the CAS registry number 7700-27-8, is also known as Benzyl 4-chlorophenyl ether. This chemical's molecular formula is C₁₃H₁₁ClO and molecular weight is 218.68. What's more, its IUPAC name is 1-Chloro-4-phenylmethoxybenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzene, 1-chloro-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1483.48; (6)ACD/BCF (pH 7.4): 1483.48; (7)ACD/KOC (pH 5.5): 6480.39; (8)ACD/KOC (pH 7.4): 6480.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 62.31 cm³; (15)Molar Volume: 186 cm³; (16)Polarizability: 24.7×10^-24 cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 54.04 kJ/mol; (21)Boiling Point: 321 °C at 760 mmHg; (22)Vapour Pressure: 0.000574 mmHg at 25 °C.

Preparation of Benzene, 1-chloro-4-(phenylmethoxy)-: this chemical is prepared by Benzyloxy-benzene. This reaction needs reagents NaClO₂, Mn(acac)₃, moist Kaolin. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 60 minutes with reaction temperature of 25 °C. The yield is about 99 %.

The Benzene, 1-chloro-4-(phenylmethoxy)- can be obtained by Benzyloxy-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(OCc1ccccc1)cc2
(2) InChI: InChI=1/C13H11ClO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
(3) InChIKey: OBCBJNFGAMHBTC-UHFFFAOYAD

Product Name

4-BENZYLOXYCHLOROBENZENE

Benzene,1-chloro-4-(phenylmethoxy)- Specification

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