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Merck

401765

Benzene

anhydrous, 99.8%

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About This Item

Empirical Formula (Hill Notation):
C6H6
CAS Number:
71-43-2
Molecular Weight:
78.11
UNSPSC Code:
12352002
NACRES:
NA.21
PubChem Substance ID:
57649920
EC Number:
200-753-7
Beilstein/REAXYS Number:
969212
MDL number:
MFCD00003009
grade:
anhydrous
assay:
99.8%
technique(s):
toxicology assay: suitable
bp:
80 °C (lit.)
vapor pressure:
166 mmHg ( 37.7 °C)
74.6 mmHg ( 20 °C)

Product Name

Benzene, anhydrous, 99.8%

InChI key

UHOVQNZJYSORNB-UHFFFAOYSA-N

InChI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H

SMILES string

c1ccccc1

grade

anhydrous

vapor density

2.77 (vs air)

vapor pressure

166 mmHg ( 37.7 °C)
74.6 mmHg ( 20 °C)

assay

99.8%

form

liquid

autoignition temp.

1043 °F

expl. lim.

8 %

technique(s)

toxicology assay: suitable

impurities

<0.001% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

refractive index

n20/D 1.501 (lit.)

bp

80 °C (lit.)

mp

5.5 °C (lit.)

density

0.874 g/mL at 25 °C (lit.)

Quality Level

200

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Application

Benzene may be used in the following processes:
  • Formation of phenyl acetate by aerobic oxidation using Pd catalyst and acetic acid as solvent.
  • Formation of phenol by hydroxylation in the presence of mesoporous carbon nitride supported on vanadium catalyst.
  • As a solvent to prepare nanoparticles of gallium nitride (GaN) by reacting Li3N and GaCl3 at 280°C.

General description

Benzene is a six membered aromatic compound. The capability of superhalogen induced ionization of benzene molecules has been reported based on ab initio calculations. Benzene, a commonly used industrial solvent is also an air pollutant and a potent carcinogen.

Packaging

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signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1

target_organs

Blood

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

12.2 °F

flash_point_c

-11 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT4813
SHBT4406
SHBT1476
SHBR6315
SHBS1841

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Ionizing benzene with superhalogens.
Czapla M, et al.
Chemical Physics Letters, 619, 32-35 (2015)
Nicole M Taylor et al.
Microorganisms, 9(1) (2021-01-07)
The microbial degradation of recalcitrant hydrocarbons is an important process that can contribute to the remediation of oil and gas-contaminated environments. Due to the complex structure of subsurface terrestrial environments, it is important to identify the microbial communities that may
Palladium-catalyzed aerobic acetoxylation of benzene using NOx-based redox mediators.
Zultanski SL and Stahl SS.
Journal of Organometallic Chemistry, 793, 263-268 (2015)
Vanadia supported on mesoporous carbon nitride as a highly efficient catalyst for hydroxylation of benzene to phenol.
Xu J, et al.
Catalysis Science & Technology, 5(3), 1504-1513 (2015)
A benzene-thermal synthetic route to nanocrystalline GaN.
Xie Y, et al.
Science, 272(5270), 1926-1927 (1996)
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