ChemicalBook--->CAS DataBase List--->1119-46-6

1119-46-6

1119-46-6 Structure

1119-46-6 Structure
IdentificationMore
[Name]

5-Chlorovaleric acid
[CAS]

1119-46-6
[Synonyms]

5-CHLORO-N-VALERIC ACID
5-CHLOROPENTANOIC
5-CHLOROPENTANOIC ACID
5-CHLOROVALERIC ACID
RARECHEM AL BO 0182
5-
Pentanoic acid, 5-chloro-
5-Chlorovaleric
5-CHLOROVALERIC ACID 98%
[EINECS(EC#)]

214-279-3
[Molecular Formula]

C5H9ClO2
[MDL Number]

MFCD00004415
[Molecular Weight]

136.58
[MOL File]

1119-46-6.mol
Questions And AnswerBack Directory
[Preparation]

5-Chlorovaleric acid is obtained by reacting 1,4-dichlorobutane with potassium cyanide or sodium hydride using a phase transfer catalysis method to produce 5-chlorovalerate, which is then hydrolyzed in an acidic aqueous solution.
Chemical PropertiesBack Directory
[Melting point ]

18 °C (lit.)
[Boiling point ]

136 °C / 14mmHg
[density ]

1.170 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.454(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, DMSO, Ethyl Acetate
[form ]

Oil
[pka]

4?+-.0.10(Predicted)
[color ]

Clear Colourless
[Specific Gravity]

1.17
[PH]

2.5 (100g/l, H2O, 20℃)(as an emulsion)
[BRN ]

1745183
[InChI]

1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
[InChIKey]

YSXDKDWNIPOSMF-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCCCl
[CAS DataBase Reference]

1119-46-6(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Chlorovaleric acid(1119-46-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3265
[WGK Germany ]

3
[F ]

8
[REACH Registrations]

Active
[HS Code ]

29159080
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Chlorovaleric acid(1119-46-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless or light color clear liquid
[Uses]

5-Chlorovaleric acid was used to derivatize L-hydroxyproline for the synthesis of haptens HP1 and HP2. These haptens were used in the preparation of antibodies against L-hydroxyproline.
[Uses]

Labelled α-Ergocryptine. α-Ergocryptine is an ergopeptine and one of the ergot alkaloids. An impurity of 2-Bromo-α-Ergocryptine Mesylate (B682600).
[Definition]

ChEBI: An organochlorine compound comprising pentanoic acid with a 5-chloro substituent.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Chlorovaleric acid(1119-46-6)MS
5-Chlorovaleric acid(1119-46-6)1HNMR
5-Chlorovaleric acid(1119-46-6)13CNMR
5-Chlorovaleric acid(1119-46-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1119-46-6(sigmaaldrich)
[TCI AMERICA]

5-Chlorovaleric Acid,>96.0%(GC)(T)(1119-46-6)
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