9-Octadecene, 1-bromo-,(9Z)- supplier

Name
1-BROMO-CIS-9-OCTADECENE
EINECS 228-074-1
CAS No. 6110-53-8
Article Data45
CAS DataBase
Density 0.996 g/cm³
Solubility
Melting Point
Formula C₁₈H₃₅Br
Boiling Point 377.3 °C at 760 mmHg
Molecular Weight 331.38
Flash Point 179 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Bromo-cis-9-octadecene;
PSA 0.00000
LogP 7.41880

9-Octadecene, 1-bromo-,(9Z)- Specification

The 9-Octadecene, 1-bromo-,(9Z)-, with the CAS registry number of 6110-53-8, is also known as 1-Bromo-cis-9-octadecene. Its EINECS registry number is 228-074-1. This chemical's molecular formula is C₁₈H₃₅Br and molecular weight is 331.37. What's more, its IUPAC name is (Z)-1-Bromooctadec-9-ene. As a chemical, it is harmful if swallowed.

Physical properties about the 9-Octadecene, 1-bromo-,(9Z)- are: (1)ACD/LogP: 9.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.66; (4)ACD/LogD (pH 7.4): 9.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4300625; (8)ACD/KOC (pH 7.4): 4300625; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 93.23 cm³; (15)Molar Volume: 332.4 cm³; (16)Surface Tension: 31.5 dyne/cm; (17)Density: 0.996 g/cm³; (18)Flash Point: 179 °C; (19)Enthalpy of Vaporization: 60.06 kJ/mol; (20)Boiling Point: 377.3 °C at 760 mmHg; (21)Vapour Pressure: 1.48E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCC/C=C\CCCCCCCC
(2) InChI: InChI=1/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
(3) InChIKey: RRQWVJIFKFIUJU-KTKRTIGZBT

Product Name

1-BROMO-CIS-9-OCTADECENE

9-Octadecene, 1-bromo-,(9Z)- Specification

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