6-Bromohexanoic acid Chemical Properties

Melting point:

32-34 °C (lit.)

Boiling point:

165-170 °C/20 mmHg (lit.)

Density 

1.3996 (rough estimate)

refractive index 

1.4790 (estimate)

Flash point:

154 °F

storage temp. 

Inert atmosphere,2-8°C

solubility 

methanol: 0.1 g/mL, clear, colorless

pka

4.72±0.10(Predicted)

form 

Low Melting Crystals

color 

White to light orange

BRN 

1749740

InChIKey

NVRVNSHHLPQGCU-UHFFFAOYSA-N

LogP

1.700 (est)

CAS DataBase Reference

4224-70-8(CAS DataBase Reference)

NIST Chemistry Reference

Hexanoic acid, 6-bromo-(4224-70-8)

EPA Substance Registry System

Hexanoic acid, 6-bromo- (4224-70-8)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45-28A

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

F 

8

Hazard Note 

Corrosive/Harmful

TSCA 

Yes

HazardClass 

8

PackingGroup 

III

HS Code 

29159080

MSDS

• Language:English Provider:6-Bromocaproic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

6-Bromohexanoic acid Usage And Synthesis

Organic Intermediate

6-bromohexanoic acid(CAS:4224-70-8), also called 6-bromohexanoic acid or 6-bromo-hexanoic acid, is an organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position. 6-Bromohexanoic acid is used in the preparation of N-acylsulfonamides, diarylthioethers and 2-lithio-1,3-dithian. It is widely used as an intermediate in organic synthesis. Here, we introduced a method for making this compound.

Chemical Properties

White to light orange low melting crystals

Uses

Employed in a direct preparation of N-acylsulfonamides on treatment with tosyl isocyanate (189278)1 and alkyl ketones from alkyl iodides and metallic strontium.2

Uses

6-Bromohexanoic acid is used in the preparation of N-acylsulfonamides, diarylthioethers and 2-lithio-1,3-dithian. It is widely used as an intermediate in organic synthesis.

Uses

6-Bromohexanoic acid was used in the preparation of N-acylsulfonamides on treatment with tosyl isocyanate (189278) and alkyl ketones from alkyl iodides and metallic strontium. It was also used in the synthesis of anionic mitomycin C-dextran conjugate (MMC-D), 2-lithio-1,3-dithian and diaryl thioethers.

Definition

ChEBI: 6-bromohexanoic acid is an organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position. It is functionally related to a hexanoic acid.

Synthesis Reference(s)

Journal of the American Chemical Society, 72, p. 5137, 1950 DOI: 10.1021/ja01167a091

Synthesis

The preparation method of the high purity 6-bromocaproic acid: the exsiccant bromize hydrogen gas is directly fed contain in the organic solvent of 6-caprolactone, exsiccant bromize hydrogen gas usage quantity is 6-caprolactone 1.0-2.0 doubly (mol ratio); Stir, ring-opening reaction takes place, temperature of reaction is 0 ℃ ~ 100 ℃, generates high purity 6-bromocaproic acid.

6-Bromohexanoic acid(4224-70-8)Related Product Information

• 6-Aminocaproic acid
• Hexyl hexanoate
• Methyl hexanoate
• Allyl hexanoate
• Ethyl Hexanoate
• 6-Bromohexanoic acid ethyl ester, Ethyl 6-bromocapronate,6-BROMOHEXANOIC ACID ETHYL ESTER
• Diethyl 2,6-dibromoheptanedioate
• 3-Bromoadamantane-1-carboxylic acid
• 6-BROMOHEXANOIC ACID METHYL ESTER
• TRALOMETHRIN
• 2-BROMOHEXANOIC ACID METHYL ESTER 99%,ALPHA-BROMOHEXANOIC ACID METHYL ESTER,2-BROMOHEXANOIC ACID METHYL ESTER
• 6-Bromocaproyl chloride, 6-Bromohexanoic acid chloride,6-BROMOHEXANOIC ACID CHLORIDE
• 2-BROMOHEXANOIC ACID METHYL ESTER,ALPHA-BROMOHEXANOIC ACID METHYL ESTER
• 2-BROMOHEXANOIC ACID METHYL ESTER,ALPHA-BROMOHEXANOIC ACID METHYL ESTER
• BROMOHEXANOIC ACID,DL-2-BROMOHEXANOIC ACID,ALPHA-BROMOHEXANOIC ACID,2-BROMOHEXANOIC ACID
• ALPHA-BROMOHEXANOIC ACID ETHYL ESTER,2-BROMOHEXANOIC ACID ETHYL ESTER,2-Bromohexanoic acid ethyl
• ALPHA-BROMOHEXANOIC ACID ETHYL ESTER,2-BROMOHEXANOIC ACID ETHYL ESTER
• Hexanoic acid