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343315

Sigma-Aldrich

1-Bromo-2-ethylbenzene

99%

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About This Item

Linear Formula:
C2H5C6H4Br
CAS Number:
1973-22-4
Molecular Weight:
185.06
Beilstein/REAXYS Number:
1929735
EC Number:
217-823-8
MDL number:
MFCD00000077
UNSPSC Code:
12352100
PubChem Substance ID:
24861144

assay

99%

form

liquid

refractive index

n20/D 1.549 (lit.)

bp

199 °C (lit.)

density

1.338 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

CCc1ccccc1Br

InChI

1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3

InChI key

HVRUGFJYCAFAAN-UHFFFAOYSA-N

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General description

1-Bromo-2-ethylbenzene is an organobromine compound.

application

1-Bromo-2-ethylbenzene may be used in the synthesis of:
  • 1-(2′-ethylphenyl)ethanol[1]
  • N-benzyl-P-(2-ethylphenyl)-P-phenylphosphinic amide[2]
  • 4-(isopropyldimethylsilyl)-2-(2-ethylphenyl)pyridine[3]
  • 5-amino-2′-ethyl -biphenyl-2-ol, used for modification of carbon paste electrode[4]

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCBP9203V
BCBM7114V
1452175V
BCBD8279V
BCBD4990V

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How Space-Filling Is a Pyridine Lone Pair?
Mazzanti A, et al.
European Journal of Organic Chemistry, 33, 6725-6731 (2011)
Henok H Kinfe et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 12), o3392-o3392 (2011-12-27)
In the crystal structure of the title compound, C(21)H(22)NOP, the amine H atom is involved in N-H⋯O hydrogen-bonding inter-actions, resulting in chains along the c axis. The crystal lattice is consolidated by weak inter-molecular C-H⋯π inter-actions.
Voltammetric sensor for simultaneous determination of ascorbic acid, acetaminophen, and tryptophan in pharmaceutical products.
Beitollahi H, et al.
Ionics, 1-9 (2014)
J P Payan et al.
Drug metabolism and disposition: the biological fate of chemicals, 27(12), 1470-1478 (1999-11-26)
The excretion and metabolism of neurotoxic 1,2-diethylbenzene (1, 2-DEB) was studied in male Sprague-Dawley rats after i.v. (1 mg/kg) or oral (1 or 100 mg/kg) administration of 1,2-diethyl[U-(14)C]benzene ([(14)C]1,2-DEB). Whatever the treatment, radioactivity was mainly excreted in urine (65-76% of

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