(~2~H_3_)Methyl(~2~H_5_)benzene

Basic Information

View in Editor

CAS Number

2037-26-5

Molecular Formula

C7D8

Molecular Weight

100.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-84 °C

Boiling Point

110 °C

Water Solubility

Soluble in water.0.5 g/L (20°C)

Refractive Index

n20/D 1.494(lit.)

SMILES

View in Editor

CC1=CC=CC=C1

InChI

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D

InChIKey

YXFVVABEGXRONW-JGUCLWPXSA-N

LogP

1.99502

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Safety Information

View Safety Information

GHS Hazard Pictograms

H225

H304

H315

H336

H373

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H304 May be fatal if swallowed and enters airways
Aspiration hazard

H315 Causes skin irritation
Skin corrosion/irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 3 Class 3

Stability

Stable, but may be moisture sensitive. Highly flammable.

Explosive Limit

1.2-8.0%(V)

Synonyms & References

English

Q13640590
Toluene-d8, '100%', 99.96 atom % D
Toluene-d8, analytical standard
NS00127079
DTXSID9074301
C6D5CD3
PS-17889
EINECS 218-009-5
1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
Toluene-d8, 99 atom % D, contains 1 % (v/v) TMS
Toluene D8 >99.5%
Perdeuterotoluene
Perdeuterated toluene
Toluene D8 2000 microg/mL in Methanol
Toluene-d8, anhydrous, 99.6 atom % D
(2H8)Toluene
Toluene D8 250 microg/mL in Methanol
YXFVVABEGXRONW-JGUCLWPXSA-N
TOLUENE-D8
Toluene-d8, 99.6 atom % D
Toluene D8
PD162643
Benzene-D5-, methyl-D3-
Benzene-d5, methyl-d3-
MFCD00044638
2037-26-5
CHEBI:193048
BENZENE-1,2,3,4,5-D5,6-(METHYL-D3)-
OCTADEUTEROTOLUENE
Toluene D8 1000 microg/mL in Methanol
1-(methyl-d3)benzene-2,3,4,5,6-d5

MDL Number

MFCD00044638

FAQ

What are the physical and chemical properties of (~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5)?

The (~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5) is a crystalline solid with a molecular weight of approximately 123.18 g/mol. It is slightly soluble in water but is more soluble in common organic solvents like ethanol and acetone. Chemically, it is less reactive than conventional benzene derivatives due to the presence of deuterium isotopes. It is stable under normal conditions but reacts readily with halogens and other electrophiles under appropriate conditions.

How is (~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5) typically synthesized?

(~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5) is typically synthesized by deuterium exchange reactions of conventional benzene with deuterium gas over a metal catalyst such as platinum or palladium. The yield and selectivity can be improved by using controlled deuterium environments and appropriate reaction conditions. The catalysts and solvents are chosen based on their compatibility with deuterium and the desired product purity.

What industries use (~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5)?

(~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5) finds applications in the pharmaceutical industry for the synthesis of deuterated drugs and intermediates. It is also used in the semiconductor industry as a precursor for producing deuterated organics used in photolithography. Additionally, it is employed in sensor technology for detecting trace amounts of benzene derivatives.

What precautions should be taken when handling (~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5)?

When handling (~2~H_3_)Methyl(~2~H_5_)benzene (CAS: 2037-26-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle it in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures. Store it in a cool, dry place away from direct sunlight and heat sources.