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Merck
CN

418781

6-Bromo-2,2-dimethylhexanenitrile

97%

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About This Item

Linear Formula:
Br(CH2)4C(CH3)2CN
CAS Number:
53545-96-3
Molecular Weight:
204.11
UNSPSC Code:
12352100
PubChem Substance ID:
24866241
MDL number:
MFCD00191844
Assay:
97%

Key Documents

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InChI

1S/C8H14BrN/c1-8(2,7-10)5-3-4-6-9/h3-6H2,1-2H3

SMILES string

CC(C)(CCCCBr)C#N

InChI key

BBBNHHFFABZOEK-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.465 (lit.)

bp

92 °C/0.6 mmHg (lit.)

density

1.197 g/mL at 25 °C (lit.)

General description

Physical properties (such as refractive index and density) of 6-bromo-2,2-dimethylhexanenitrile have been reported.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

129.2 °F - closed cup

flash_point_c

54 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
04711PF

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Yaws CL
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 203-203 (2014)

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