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: 2024-08-13 17:19:14
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. |
Computed Descriptors for 6-Bromohexanoic acid
| InChIKey | NVRVNSHHLPQGCU-UHFFFAOYSA-N |
Abamectin manufacturer
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product: 4224-70-8 6-BROMO HEXANOIC ACID 99%
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