Heptadecanoic acid,17-bromo- supplier

Name
17-BROMOHEPTADECANOIC ACID
EINECS 236-017-7
CAS No. 13099-35-9
Article Data7
CAS DataBase
Density 1.102g/cm³
Solubility
Melting Point 72-74°C
Formula C₁₇H₃₃BrO₂
Boiling Point 436.2 °C at 760 mmHg
Molecular Weight 349.352
Flash Point 217.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 17-Bromoheptadecanoicacid;w-Bromoheptadecanoic acid;
PSA 37.30000
LogP 6.31740

Heptadecanoic acid,17-bromo- Specification

The Heptadecanoic acid,17-bromo-, with CAS registry number 13099-35-9, has the systematic name of 17-bromoheptadecanoic acid. This chemical belongs to the following product category: Miscellaneous. And the chemical formula of this chemical is C₁₇H₃₃BrO₂. What's more, its EINECS is 236-017-7.

Physical properties of Heptadecanoic acid,17-bromo-: (1)ACD/LogP: 7.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 51156.29; (6)ACD/BCF (pH 7.4): 820.67; (7)ACD/KOC (pH 5.5): 48522.02; (8)ACD/KOC (pH 7.4): 778.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 90.1 cm³; (15)Molar Volume: 316.9 cm³; (16)Polarizability: 35.72×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.102 g/cm³; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 75.94 kJ/mol; (21)Boiling Point: 436.2 °C at 760 mmHg; (22)Vapour Pressure: 7.9E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
(3)InChIKey: GABSTWMSOFZKEJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
(5)Std. InChIKey: GABSTWMSOFZKEJ-UHFFFAOYSA-N

Product Name

17-BROMOHEPTADECANOIC ACID

Heptadecanoic acid,17-bromo- Specification

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