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| CAS No.: | 73367-80-3 |
|---|---|
| Name: | 12-Bromododecanoic acid |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C12H23BrO2 |
| Molecular Weight: | 279.217 |
| Synonyms: | 12-Bromododecanoicacid;12-Bromolauric acid;NSC 660375;w-Bromododecanoic acid; |
| EINECS: | 277-401-4 |
| Density: | 1.191 g/cm3 |
| Melting Point: | 52-55 °C(lit.) |
| Boiling Point: | 367.8 °C at 760 mmHg |
| Flash Point: | 176.2 °C |
| Safety: | 22-24/25 |
| PSA: | 37.30000 |
| LogP: | 4.36690 |
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Specification
The 12-Bromododecanoic acid is an organic compound with the formula C12H23BrO2. The IUPAC name of this chemical is 12-bromododecanoic acid. With the CAS registry number 73367-80-3, it is also named as Dodecanoic acid, 12-bromo-. The product's category is Organic Acids. When you are using it, avoid contact with skin and eyes and do not breathe dust.
Physical properties about 12-Bromododecanoic acid are: (1)ACD/LogP: 4.89; (2)ACD/LogD (pH 5.5): 4.09; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 489.31; (5)ACD/BCF (pH 7.4): 7.85; (6)ACD/KOC (pH 5.5): 1739.73; (7)ACD/KOC (pH 7.4): 27.91; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 66.93 cm3; (14)Molar Volume: 234.4 cm3; (15)Polarizability: 26.53×10-24cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.191 g/cm3; (18)Flash Point: 176.2 °C; (19)Enthalpy of Vaporization: 67.47 kJ/mol; (20)Boiling Point: 367.8 °C at 760 mmHg; (21)Vapour Pressure: 2.05E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 12-hydroxy-dodecanoic acid. This reaction will need reagent 48percent HBr, H2SO4. The yield is about 88%.
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Uses of 12-Bromododecanoic acid: it can be used to produce 12-bromo-dodecanoic acid methyl ester by heating. It will need reagent H2SO4 with reaction time of 24 hours. The yield is about 93%.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
(3)InChIKey: YYKBWYBUCFHYPR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
(5)Std. InChIKey: YYKBWYBUCFHYPR-UHFFFAOYSA-N