6-Bromohexanoic acid

Synonym(s):6-Bromocaproic acid

CAS NO.：4224-70-8
Empirical Formula: C6H11BrO2
Molecular Weight: 195.05
MDL number: MFCD00004422
EINECS: 224-176-5
SAFETY DATA SHEET (SDS)
Update Date: 2024-10-28 16:48:35

What is 6-Bromohexanoic acid?

Chemical properties

White to light orange low melting crystals

The Uses of 6-Bromohexanoic acid

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.

The Uses of 6-Bromohexanoic acid

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

The Uses of 6-Bromohexanoic acid

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

Properties of 6-Bromohexanoic acid

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
form	Low Melting Crystals
pka	4.72±0.10(Predicted)
color	White to light orange
BRN	1749740
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 for 6-Bromohexanoic acid

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05
GHS Hazard Statements	H314:Skin corrosion/irritation
Precautionary Statement Codes	P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.