| Identification | More | [Name]
6-Bromohexanoic acid | [CAS]
4224-70-8 | [Synonyms]
6-BROMOCAPROIC ACID
6-BROMOHEXANOIC ACID
6-BROMO-N-HEXANOIC ACID
AKOS BB/0098
EPSILON-BROMO CAPROIC ACID
RARECHEM AL BO 0317
6-bromo-hexanoicaci
6-Bromo-n-caproic acid
6-BROMOHEXANOIC ACID and its esters
6-BromohexanoicAcid98+%
Hexanoic acid, 6-bromo-
6-bromohexonic acid | [EINECS(EC#)]
224-176-5 | [Molecular Formula]
C6H11BrO2 | [MDL Number]
MFCD00004422 | [Molecular Weight]
195.05 | [MOL File]
4224-70-8.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light orange low melting crystals | [Melting point ]
32-34 °C (lit.) | [Boiling point ]
165-170 °C/20 mmHg (lit.) | [density ]
1.3996 (rough estimate) | [refractive index ]
1.4790 (estimate) | [Fp ]
154 °F
| [storage temp. ]
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 | [InChI]
1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9) | [InChIKey]
NVRVNSHHLPQGCU-UHFFFAOYSA-N | [SMILES]
OC(=O)CCCCCBr | [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]
4224-70-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [F ]
8 | [Hazard Note ]
Corrosive/Harmful | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29159080 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B |
| Questions And Answer | Back Directory | [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. |
| Hazard Information | Back Directory | [Chemical Properties]
White to light orange low melting crystals | [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. | [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]
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 | [Definition]
ChEBI: An organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position. | [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. | [References]
[1] Reactive and Functional Polymers, 2016, vol. 99, p. 1 - 8
[2] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 1, p. 567 - 579
[3] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 9, p. 2896 - 2903
[4] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 23, p. 7681 - 7687
[5] Journal of the American Chemical Society, 1982, vol. 104, # 5, p. 1391 - 1403 |
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