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ChemicalBook--->CAS DataBase List--->4224-70-8

4224-70-8

4224-70-8 Structure

4224-70-8 Structure
IdentificationMore
[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 PropertiesBack 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
[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]

4224-70-8(EPA Substance)
Safety DataBack 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
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

5-CARBOXY-1-PENTANETHIOL-->Ethyl 6-bromohexanoate-->Tetradecanoic acid, 14-bromo-, methyl ester-->(5-Carboxypentyl)(triphenyl)phosphonium bromide-->6-carboxyhexyl triphenylphosphonium bromide-->tert-Butyl 6-Hydroxyhexanoate-->6-Azido-hexanoic acid-->CIS-9,10-METHYLENEOCTADECANOIC ACID-->6-BROMOHEXANENITRILE-->6-Bromohexanoyl chloride-->16-HYDROXYHEXADECANOIC ACID-->7-OCTYN-1-OL-->LIGNOCERIC ACID METHYL ESTER-->1,10-Dibromodecane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

6-Bromocaproic acid(4224-70-8).msds
Questions And AnswerBack 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 InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Bromohexanoic acid(4224-70-8)MS
6-Bromohexanoic acid(4224-70-8)1HNMR
6-Bromohexanoic acid(4224-70-8)13CNMR
6-Bromohexanoic acid(4224-70-8)IR1
6-Bromohexanoic acid(4224-70-8)IR2
6-Bromohexanoic acid(4224-70-8)IR3
6-Bromohexanoic acid(4224-70-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Bromohexanoic acid, 98%(4224-70-8)
[Alfa Aesar]

6-Bromohexanoic acid, 98+%(4224-70-8)
[Sigma Aldrich]

4224-70-8(sigmaaldrich)
[TCI AMERICA]

6-Bromohexanoic Acid,>96.0%(GC)(T)(4224-70-8)
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