CAS 106-37-6 1,4-Dibromo benzene - Materials / Alfa Chemistry

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1,4-Dibromo benzene

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Catalog Number

ACM106376

Product Name

1,4-Dibromo benzene

Structure

CAS

106-37-6

Category

Other Material Building Blocks

IUPAC Name

1,4-dibromobenzene

Molecular Weight

235.9g/mol

Molecular Formula

C6H4Br2

Canonical SMILES

C1=CC(=CC=C1Br)Br

InChI

InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H

InChI Key

SWJPEBQEEAHIGZ-UHFFFAOYSA-N

Boiling Point

218.5 °C;220.40 °C

Melting Point

87.3 °C;87.3 °C

Density

0.9641 @ 99.6 °C

Solubility

8.48e-05 M;SOLUBLE IN TOLUENE, VERY SOL IN HOT TOLUENE; VERY SOLUBLE IN CARBON DISULFIDE;Pratically insoluble in water; sol in about 70 parts alcohol; sol in benzene, chloroform; very sol in ether;> 10% in acetone;> 10% in benzene;> 10% in ether;> 10% in ethanol;Solubiliy in water = 20 mg/l at 25 °C;Insoluble in water; soluble in ethanol; very soluble in ethyl ether, acetone.

Color/Form

PLATES;COLORLESS CRYSTALS

Complexity

54.9

Covalently-Bonded Unit Count

EC Number

203-390-2

Exact Mass

235.86593g/mol

Formal Charge

Hazard Statements

H226-H332

Heat of Vaporization

13,047.8 g cal/g mole

Heavy Atom Count

Log P

3.79 (LogP);Log Kow= 3.79

MeSH Entry Terms

1,4-dibromobenzene

Monoisotopic Mass

233.86798g/mol

NSC Number

33942

Odor

ODOR OF XYLENE

Other Experimental

Dielectric constant: 7.77 at 10 °C; 6.7 at 40 °C; dipole moment: 1.43 (gas), 1.85 in liquid at 20 °C;Heat of fusion: 20.55 cal/g= 85.98 J/g= 20,284 J/mol;IR: 4276 (Coblentz Society Spectral Collection) /o-Dibromobenzene/;UV: 5-46 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /o-Dibromobenzene/;NMR: 11724 (Sadtler Research Laboratories Spectral Collection) /o-Dibromobenzene/;MASS: 1651 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) /o-Dibromobenzene/;IR: 6879 (Coblentz Society Spectral Collection) /m-Dibromobenzene/;NMR: 18683 (Sadtler Research Laboratories Spectral Collection) /m-Dibromobenzene/;MASS: 264 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /m-Dibromobenzene/

Refractive Index

INDEX OF REFRACTION: 1.5743 @ 99.3 °C/D

Rotatable Bond Count

UNII

9991W3M5HZ

Vapor Density

8.1 (Air= 1)

Vapor Pressure

0.06 mmHg;0.0575 mm Hg @ 25 °C

XLogP3

3.8

MSDS