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3-(2-Chloroethoxy)-bromobenzene

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Name

3-(2-Chloroethoxy)-bromobenzene

EINECS N/A
CAS No. 730978-54-8 Density 1.495 g/cm3
PSA 9.23000 LogP 3.06670
Solubility N/A Melting Point N/A
Formula C8H8BrClO 
 
Boiling Point 271.795 °C at 760 mmHg
Molecular Weight 235.508 Flash Point 118.178 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 730978-54-8 (3-(2-Chloroethoxy)-bromobenzene) Hazard Symbols N/A
Synonyms

3-(2-CHLOROETHOXY)-BROMOBENZENE;UKRORGSYN-BB BBV-1775309

Article Data 4

3-(2-Chloroethoxy)-bromobenzene Specification

The 3-(2-Chloroethoxy)-bromobenzene with CAS registry number of 730978-54-8 is also named UKRORGSYN-BB BBV-1775309. Its systematic name is 1-Bromo-3-(2-chloroethoxy)benzene. In addition, the formula is C8H8BrClO and the molecular weight is 235.5055.

Physical properties about this chemical are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.519; (4)ACD/LogD (pH 7.4): 3.519; (5)ACD/BCF (pH 5.5): 278.139; (6)ACD/BCF (pH 7.4): 278.139; (7)ACD/KOC (pH 5.5): 1955.276; (8)ACD/KOC (pH 7.4): 1955.276; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 50.104 cm3; (15)Molar Volume: 157.512 cm3; (16)Polarizability: 19.863×10-24cm3; (17)Surface Tension: 38.622 dyne/cm ; (18)Density: 1.495 g/cm3; (19)Flash Point: 118.178 °C; (20)Enthalpy of Vaporization: 48.951 kJ/mol; (21)Boiling Point: 271.795 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: c1cc(cc(c1)Br)OCCCl
2. InChI: InChI=1/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
3. InChIKey: SKCZJIJRFHLPCY-UHFFFAOYAR
4. Std. InChI: InChI=1S/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
5. Std. InChIKey: SKCZJIJRFHLPCY-UHFFFAOYSA-N

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