Benzene,(11-bromoundecyl)- supplier

Name
1-BROMO-11-PHENYL UNDECANE
EINECS
CAS No. 101025-08-5
Article Data3
CAS DataBase
Density 1.096 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₇Br
Boiling Point 369.5 °C at 760 mmHg
Molecular Weight 311.305
Flash Point 179.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Bromo-11-phenylundecane;
PSA 0.00000
LogP 6.13490

Benzene,(11-bromoundecyl)- Specification

The Benzene,(11-bromoundecyl)-, with the CAS registry number 101025-08-5, is also known as 1-Bromo-11-phenylundecane. This chemical's molecular formula is C₁₇H₂₇Br and molecular weight is 311.3. What's more, both its IUPAC name and systematic name are the same which is called 11-Bromoundecylbenzene. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzene,(11-bromoundecyl)- are: (1) ACD/LogP: 7.85; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 7.85; (4) ACD/LogD (pH 7.4): 7.85; (5) ACD/BCF (pH 5.5): 547469.5; (6) ACD/BCF (pH 7.4): 547469.5; (7) ACD/KOC (pH 5.5): 445747.94; (8) ACD/KOC (pH 7.4): 445747.94; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 11; (12) Polar Surface Area: 0 Å²; (13) Index of Refraction: 1.512; (14) Molar Refractivity: 85.22 cm³; (15) Molar Volume: 283.9 cm³; (16) Surface Tension: 35.6 dyne/cm; (17) Density: 1.096 g/cm³; (18)Flash Point: 179.1 °C; (19) Enthalpy of Vaporization: 59.21 kJ/mol; (20) Boiling Point: 369.5 °C at 760 mmHg; (21) Vapour Pressure: 2.51E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCCCCCc1ccccc1
(2) InChI: InChI=1/C17H27Br/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2
(3) InChIKey: YGENGEQZELQBSE-UHFFFAOYAX

Product Name

1-BROMO-11-PHENYL UNDECANE

Benzene,(11-bromoundecyl)- Specification

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