ChemicalBook--->CAS DataBase List--->6621-59-6

6621-59-6

6621-59-6 Structure

6621-59-6 Structure
IdentificationMore
[Name]

6-BROMOHEXANENITRILE
[CAS]

6621-59-6
[Synonyms]

6-BROMOCAPRONITRILE
6-BROMOHEXANENITRILE
5-Bromopentyl cyanide
6-bromo-hexanenitril
6-Bromohexanonitrile
Hexanenitrile, 6-bromo-
6-Bromohexanenitrile,97%
6-Bromocapronitrile,97%
[EINECS(EC#)]

229-570-0
[Molecular Formula]

C6H10BrN
[MDL Number]

MFCD00013834
[Molecular Weight]

176.05
[MOL File]

6621-59-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear slightly yellow liquid
[Boiling point ]

134 °C/13 mmHg (lit.)
[density ]

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

n20/D 1.477(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

1.328
[BRN ]

1744172
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
[InChIKey]

PHOSWLARCIBBJZ-UHFFFAOYSA-N
[SMILES]

C(#N)CCCCCBr
[CAS DataBase Reference]

6621-59-6(CAS DataBase Reference)
[EPA Substance Registry System]

Hexanenitrile, 6-bromo- (6621-59-6)
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 ]

3276
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear slightly yellow liquid
[Uses]

6-Bromohexanenitrile (6-Bromocapronitrile, 6-Bromohexanonitrile) is suitable reagent used in the synthesis of (5-cyanopentyl)zinc(II) bromide, an organozinc reagent. It may be used in the synthesis of the following:
  • 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)hexanenitrile.
  • dimethyl 6,6′-dithiobiscaproimidate, a long-chain dithiobisimidate.
  • N-benzyloxy-(4-cyanopentyl)-carbamic acid ethyl ester, a N-benzyloxy carbamate derivative.
  • 1-hetarylsulfanyl-ω-cyanoalkanes.
[General Description]

6-Bromohexanenitrile (6-Bromohexanonitrile) is an ω-bromoalkanonitrile. Friedel Crafts alkylation of 6-bromohexanenitrile with benzene has been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

6-BROMOHEXANENITRILE(6621-59-6)MS
6-BROMOHEXANENITRILE(6621-59-6)1HNMR
6-BROMOHEXANENITRILE(6621-59-6)13CNMR
6-BROMOHEXANENITRILE(6621-59-6)IR1
6-BROMOHEXANENITRILE(6621-59-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Bromohexanenitrile, 95%(6621-59-6)
[Alfa Aesar]

6-Bromohexanenitrile, 97%(6621-59-6)
[Sigma Aldrich]

6621-59-6(sigmaaldrich)
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