Products Categories
| CAS No.: | 5445-22-7 |
|---|---|
| Name: | METHYL 2-BROMOOCTANOATE |
| Article Data: | 14 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H17BrO2 |
| Molecular Weight: | 237.137 |
| Synonyms: | Methyl2-bromooctanoate;NSC 21981; |
| EINECS: | 226-644-4 |
| Density: | 1.221 g/cm3 |
| Boiling Point: | 227.7 °C at 760 mmHg |
| Flash Point: | 101.9 °C |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | R36/38 |
| PSA: | 26.30000 |
| LogP: | 2.89330 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
What can I do for you?
Get Best Price
Specification
The Octanoicacid, 2-bromo-, methyl ester, with the CAS registry number 5445-22-7, is also known as NSC21981. Its EINECS registry number is 226-644-4. This chemical's molecular formula is C9H17BrO2 and molecular weight is 237.13. Its IUPAC name is called methyl 2-bromooctanoate.
Physical properties of Octanoicacid, 2-bromo-, methyl ester: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 490.02; (6)ACD/BCF (pH 7.4): 490.02; (7)ACD/KOC (pH 5.5): 2932.62; (8)ACD/KOC (pH 7.4): 2932.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 53.21 cm3; (14)Molar Volume: 194.1 cm3; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 1.221 g/cm3; (17)Flash Point: 101.9 °C; (18)Enthalpy of Vaporization: 46.43 kJ/mol; (19)Boiling Point: 227.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0763 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol and 2-bromo-octanoic acid. This reaction will need reagent 1,2-dichloro-ethane, sulfuric acid.
.png)
Uses of Octanoicacid, 2-bromo-, methyl ester: it can be used to produce a-Keto-caprylsaeuremethylester by heating. This reaction will need reagent 4-dimethylaminopyridine N-oxide (DMAP N-oxide) and solvent acetonitrile with reaction time of 35 min. The yield is about 85%.
.png)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC(C(=O)OC)Br
(2)InChI: InChI=1S/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3
(3)InChIKey: RCMQQTUVWBXJQS-UHFFFAOYSA-N