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Safety Information

D79403

Sigma-Aldrich

Bicyclohexyl

99%

Synonym(s):

1,1′-Bi(cyclohexyl), BCH, Dicyclohexyl

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About This Item

Linear Formula:
C6H11C6H11
CAS Number:
92-51-3
Molecular Weight:
166.30
Beilstein:
1848266
EC Number:
202-161-4
MDL number:
MFCD00003815
UNSPSC Code:
12352100
PubChem Substance ID:
24894172
NACRES:
NA.22

Quality Level

200

Assay

99%

form

liquid

autoignition temp.

473 °F

refractive index

n20/D 1.478 (lit.)

bp

227 °C (lit.)

mp

3-4 °C (lit.)

density

0.864 g/mL at 25 °C (lit.)

SMILES string

C1CCC(CC1)C2CCCCC2

InChI

1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

InChI key

WVIIMZNLDWSIRH-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544) , ESR1(2099)

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Application

Bicyclohexyl can be used as a reactant:      
  • To synthesize 1-azido-1,1′-bi(cyclohexane) by Mn-catalyzed oxidative azidation method using nucleophilic NaN3 as an azide source.      
  • To prepare 1-fluoro-1,1′-bicyclohexyl using elemental fluorine.   
  • In the aliphatic Friedel-Crafts reaction to prepare novel bicyclohexyl based oxygenated building block via C-H activation with aluminum trichloride and acetyl chloride.

Signal Word

Danger

Hazard Statements

H302,H304,H335,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 2 - Asp. Tox. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

197.6 °F - closed cup

Flash Point(C)

92 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

D79403-VAR:
D79403-100G:
D79403-5G:
D79403-25G:
D79403-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
0000359762
0000342821
0000342822
0000359762
SHBR2982

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Linbin Niu et al.
Journal of the American Chemical Society, 142(41), 17693-17702 (2020-09-18)
The selective installation of azide groups into C(sp3)-H bonds is a priority research topic in organic synthesis, particularly in pharmaceutical discovery and late-stage diversification. Herein, we demonstrate a generalized manganese-catalyzed oxidative azidation methodology of C(sp3)-H bonds using nucleophilic NaN3 as
Catherine L Lyall et al.
Organic & biomolecular chemistry, 11(9), 1468-1475 (2012-12-25)
The functionalisation of decalin by means of an "aliphatic Friedel-Crafts" reaction was reported over fifty years ago by Baddeley et al. This protocol is of current relevance in the context of C-H activation and here we demonstrate its applicability to
Lionel W Spack et al.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 34(6), 1052-1071 (2017-03-28)
The contamination of food by mineral oil hydrocarbons (MOHs) found in packaging is a long-running concern. A main source of MOHs in foods is the migration of mineral oil from recycled board into the packed food products. Consequently, the majority
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at

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