ChemicalBook--->CAS DataBase List--->6280-87-1

6280-87-1

6280-87-1 Structure

6280-87-1 Structure
IdentificationMore
[Name]

5-Chlorovaleronitrile
[CAS]

6280-87-1
[Synonyms]

4-CHLORO-N-BUTYL CYANIDE
5-CHLORO-N-PENTANENITRILE
5-CHLORO-N-VALERONITRILE
5-CHLOROVALERONITRILE
DELTA-CHLOROVALERONITRILE
5-Chloropentanenitrile
Pentanenitrile, 5-chloro-
Valeronitrile, 5-chloro-
Chlorovaleronitrile
5-Chlorovaneronitrile
5-Chlorovaleronitrile,97%
5-CHLOROVALERONITRILE 97%
5-CHLORO-N-VALERONITRILE 95+%
4-Chlorobutyl Cyanide
[EINECS(EC#)]

228-481-4
[Molecular Formula]

C5H8ClN
[MDL Number]

MFCD00001977
[Molecular Weight]

117.58
[MOL File]

6280-87-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[Boiling point ]

92-93 °C (10 mmHg)
[density ]

1.045 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.446(lit.)
[Fp ]

209 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Clear
[BRN ]

1742079
[InChI]

InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
[InChIKey]

JSAWFGSXRPCFSW-UHFFFAOYSA-N
[SMILES]

C(#N)CCCCCl
[CAS DataBase Reference]

6280-87-1(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Chlorovaleronitrile(6280-87-1)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

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 3276 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone-->5-Chlorovaleryl chloride-->5-(Dimethylamino)pentylamine-->Pentanenitrile, 5-aMino--->Cyclobutanecarbonitrile-->Adiponitrile-->(S)-2-phenethylpiperidine hydrochloride-->4-cyanopentylmorpholine-->5-(dimethylamino)-pentanenitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Chlorovaleronitrile(6280-87-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear liquid
[Uses]

5-Chlorovaleronitrile is used as a reagent in the synthesis of cyanoguanidine derivatives which exhibit dual histamine H1 and H2 receptor antagonist activity. Also used in the synthesis of purine derivatives which exhibit antimicrobial activity.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Chlorovaleronitrile(6280-87-1)MS
5-Chlorovaleronitrile(6280-87-1)1HNMR
5-Chlorovaleronitrile(6280-87-1)13CNMR
5-Chlorovaleronitrile(6280-87-1)IR1
5-Chlorovaleronitrile(6280-87-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Chlorovaleronitrile, 97%(6280-87-1)
[Alfa Aesar]

5-Chlorovaleronitrile, 97%(6280-87-1)
[Sigma Aldrich]

6280-87-1(sigmaaldrich)
[TCI AMERICA]

5-Chlorovaleronitrile,>95.0%(GC)(6280-87-1)
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