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242470

Sigma-Aldrich

7-Bromoheptanenitrile

90%

Synonym(s):

6-Cyanohexyl bromide

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About This Item

Linear Formula:
Br(CH2)6CN
CAS Number:
20965-27-9
Molecular Weight:
190.08
MDL number:
MFCD00001982
UNSPSC Code:
12352100
PubChem Substance ID:
24854560
NACRES:
NA.22

assay

90%

form

liquid

refractive index

n20/D 1.475 (lit.)

bp

140-141 °C/14 mmHg (lit.)

density

1.265 g/mL at 25 °C (lit.)

SMILES string

BrCCCCCCC#N

InChI

1S/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2

InChI key

HVVQSKCGHAPHMV-UHFFFAOYSA-N

Related Categories

Application

7-Bromoheptanenitrile was used in the synthesis of (±)-15-deoxyspergualin, a new immunosuppressive agent.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

Certificates of Analysis (COA)

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A new efficient synthesis of the immunosuppressive agent (?)-15-deoxyspergualin.
Tetrahedron, 57(14), 2757-2760 (2001)
Franziska Kupke et al.
Scientific reports, 6, 37631-37631 (2016-11-25)
Isothiocyanates are the most intensively studied breakdown products of glucosinolates from Brassica plants and well recognized for their pleiotropic effects against cancer but also for their genotoxic potential. However, knowledge about the bioactivity of glucosinolate-borne nitriles in foods is very

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