Heneicosanoic acid,21-bromo- supplier

Name
21-Bromoheneicosanoic acid
EINECS
CAS No. 855953-37-6
Density 1.058 g/cm³
Solubility
Melting Point 80-82 °C
Formula C₂₁H₄₁BrO₂
Boiling Point 487.3 °C at 760 mmHg
Molecular Weight 405.459
Flash Point 248.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 21-Bromo-heneicosanecarboxylic acid;
PSA 37.30000
LogP 7.87780

Heneicosanoic acid,21-bromo- Specification

The Heneicosanoic acid,21-bromo-, with the CAS registry number 855953-37-6, is also known as 21-Bromo-heneicosanecarboxylic acid. This chemical's molecular formula is C₂₁H₄₁BrO₂ and molecular weight is 405.46. What's more, its systematic name is called 21-Bromohenicosanoic acid. 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 Heneicosanoic acid,21-bromo- are: (1) ACD/LogP: 9.67; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 8.88; (4) ACD/LogD (pH 7.4): 7.08; (5) ACD/BCF (pH 5.5): 1000000; (6) ACD/BCF (pH 7.4): 33843.57; (7) ACD/KOC (pH 5.5): 695276.19; (8) ACD/KOC (pH 7.4): 11153.97; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 20; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.479; (14) Molar Refractivity: 108.63 cm³; (15) Molar Volume: 382.9 cm³; (16) Surface Tension: 36.5 dyne/cm; (17) Density: 1.058 g/cm³; (18)Flash Point: 248.5 °C; (19) Enthalpy of Vaporization: 82.48 kJ/mol; (20)Boiling Point: 487.3 °C at 760 mmHg; (21) Vapour Pressure: 7.87E-11 mmHg at 25°C; (22) Melting Point: 80-82 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCCCCCCCCCCCCCCC(=O)O
(2) InChI: InChI=1/C21H41BrO2/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h1-20H2,(H,23,24)
(3) InChIKey: CORVQSQOTLKNEI-UHFFFAOYAY

Product Name

21-Bromoheneicosanoic acid

Heneicosanoic acid,21-bromo- Specification

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