Benzene-D6 Chemical Properties

Melting point:

6.8 °C(lit.)

Boiling point:

79.1 °C(lit.)

Density 

0.950 g/mL at 25 °C(lit.)

vapor pressure 

101 hPa (20 °C)

refractive index 

n20/D 1.497(lit.)

Flash point:

12 °F

storage temp. 

no restrictions.

solubility 

Miscible with most organic solvents.

form 

Liquid

Specific Gravity

0.950

color 

Colorless

explosive limit

1.4-8.0%(V)

Water Solubility 

Slightly Soluble in water.

Sensitive 

Moisture Sensitive

BRN 

1905426

Exposure limits

ACGIH: TWA 0.5 ppm; STEL 2.5 ppm (Skin)
OSHA: Ceiling 25 ppm; TWA 10 ppm; TWA 1 ppm; STEL 5 ppm
NIOSH: IDLH 500 ppm; TWA 0.1 ppm; STEL 1 ppm

Stability:

Stable. Incompatible with oxidizing agents, acids, bases, halogens, metal salts. Protect from moisture. Highly flammable.

InChIKey

UHOVQNZJYSORNB-MZWXYZOWSA-N

CAS DataBase Reference

1076-43-3(CAS DataBase Reference)

EPA Substance Registry System

Benzene-d6 (1076-43-3)

Safety Information

Hazard Codes 

F,T

Risk Statements 

45-46-11-36/38-48/23/24/25-65-39/23/24/25-23/24/25-48/23/24

Safety Statements 

53-45-36/37

RIDADR 

UN 1114 3/PG 2

WGK Germany 

3

F 

10-21

Autoignition Temperature

555 °C

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29022000

Toxicity

LD50 orally in Rabbit: 930 mg/kg LD50 dermal Rabbit > 8260 mg/kg

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Benzene-D6 Usage And Synthesis

Chemical Properties

Benzene-d6 is a flammable, viscous organic solvent with the formula C6D6. It is used to dissolve a wide range of compounds and has a density of 0.87 g/cm3 (20 oC).The 1H-NMR spectrum of deuterated benzene comprises of a singlet at 7.16 ppm (vs. TMS). The 13C-NMR spectrum consists of a triplet of equal intensity at 128.39 ppm (vs. TMS). The water resonance is at 0.5 ppm. Benzene-d6 is slightly hygroscopic and thus some care should be taken to minimize contact of the solvent with atmospheric water.

Uses

Isotope labelled benzene, an organic compound that is a natural constituent of crude oil and one of the most basic petrochemicals.

Uses

Benzene-d6 is a solvent used in nuclear magnetic resonance spectroscopy (NMR).

Definition

ChEBI: Benzene-d6 is a deuterated compound, a member of benzenes, an aromatic annulene and a volatile organic compound.

Application

Isotope labelled benzene, an organic compound that is a natural constituent of crude oil and one of the most basic petrochemicals.

General Description

Benzene-d₆ (C₆D₆) is deuterated benzene. Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,¹³C NMR, IR and MS spectra have been reported.

Purification Methods

Hexadeuteriobenzene of 99.5% purity is refluxed over and distilled from CaH2 onto Linde type 5A sieves under N2. [Beilstein 5 III 518, 5 IV 630.]

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