Nonadecanoic acid,19-bromo- supplier

Name
19-BROMONONADECANOIC ACID
EINECS
CAS No. 78774-38-6
Article Data2
CAS DataBase
Density 1.078 g/cm³
Solubility
Melting Point 78-80 °C
Formula C₁₉H₃₇BrO₂
Boiling Point 462.1 °C at 760 mmHg
Molecular Weight 377.406
Flash Point 233.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 19-Bromononadecanoicacid;
PSA 37.30000
LogP 7.09760

Nonadecanoic acid,19-bromo- Specification

The Nonadecanoic acid,19-bromo- is an organic compound with the formula C₁₉H₃₇BrO₂. With the CAS registry number 78774-38-6, the systematic name of this chemical is 19-bromononadecanoic acid.

Physical properties about Nonadecanoic acid,19-bromo- are: (1)ACD/LogP: 8.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.81; (4)ACD/LogD (pH 7.4): 6.02; (5)ACD/BCF (pH 5.5): 328512.91; (6)ACD/BCF (pH 7.4): 5270.17; (7)ACD/KOC (pH 5.5): 183674.58; (8)ACD/KOC (pH 7.4): 2946.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 99.36 cm³; (15)Molar Volume: 349.9 cm³; (16)Polarizability: 39.39×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.078 g/cm³; (19)Flash Point: 233.3 °C; (20)Enthalpy of Vaporization: 79.24 kJ/mol; (21)Boiling Point: 462.1 °C at 760 mmHg; (22)Vapour Pressure: 8.01E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C19H37BrO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18H2,(H,21,22)
(3)InChIKey: FLMPHTLDVWMADF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C19H37BrO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18H2,(H,21,22)
(5)Std. InChIKey: FLMPHTLDVWMADF-UHFFFAOYSA-N

Product Name

19-BROMONONADECANOIC ACID

Nonadecanoic acid,19-bromo- Specification

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