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2-Bromooctanoic Acid CAS No.:2623-82-7

2-Bromooctanoic Acid CAS No.:2623-82-7

Octanoic acid, 2-bromo- Specification The CAS register number of Octanoic acid, 2-bromo- is 2623-82-7. It also can be called as Bromooctanoicacid and the IUPAC name about this chemical is 2-bromooctanoic acid. The molecular formula about this chemical is C8H15BrO2 and the molecular weight is...

Name

Octanoic acid, 2-bromo-

EINECS

220-079-7

CAS No.

2623-82-7

Density

1.321 g/cm3

Solubility


Melting Point


Formula

C8H15BrO2

Boiling Point

281.4 °C at 760 mmHg

Molecular Weight

223.11

Flash Point

124 °C

Transport Information

UN 3265 8/PG 2

Appearance


Safety

26-36/37/39-45

Risk Codes

34

Molecular Structure

1.jpg

Hazard Symbols

2(002).jpgC

Synonyms

2-Bromo-n-octanoic acid;Alpha-bromocaprylic acid;2-Bromocaprylic acid;2-Bromooctanoic acid;Bromooctanoicacid;




Octanoic acid, 2-bromo- Specification

The CAS register number of Octanoic acid, 2-bromo- is 2623-82-7. It also can be called as Bromooctanoicacid and the IUPAC name about this chemical is 2-bromooctanoic acid. The molecular formula about this chemical is C8H15BrO2 and the molecular weight is 223.11. It belongs to the following product category which includes Organic acids.

Physical properties about Octanoic acid, 2-bromo- are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.07; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 48.36 cm3; (14)Molar Volume: 168.7 cm3; (15)Polarizability: 19.17x10-24cm3; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.321 g/cm3; (18)Flash Point: 124 °C; (19)Enthalpy of Vaporization: 57.25 kJ/mol; (20)Boiling Point: 281.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000941 mmHg at 25 °C.

Preparation: this chemical can be prepared by octanoic acid. This reaction will need reagents of phosphorus (III)-bromide, bromine.

1.jpg

Uses of Octanoic acid, 2-bromo-: it can be used to produce 2-amino-octanoic acid. This reaction will need reagent of NH3. The reaction temperature is 50 °C.

2.jpg


When you are using this chemical, please be cautious about it as the following:

This chemical can cause burns. It may also destroy living tissue on contact. If you want to use it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In addtion, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. What`s more, If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:

(1)SMILES: BrC(C(=O)O)CCCCCC 

(2)InChI: InChI=1/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11) 

(3)InChIKey: GTGTXZRPJHDASG-UHFFFAOYAS

(4)Std. InChI: InChI=1S/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11) 

(5)Std. InChIKey: GTGTXZRPJHDASG-UHFFFAOYSA-N


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