Benzene-D6 Property

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

color 

Colorless

Specific Gravity

0.950

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

H315Causes skin irritation

H319Causes serious eye irritation

H340May cause genetic defects

H350May cause cancer

H372Causes damage to organs through prolonged or repeated exposure

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P273Avoid release to the environment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P331Do NOT induce vomiting.

Benzene-D6 Chemical Properties,Usage,Production

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.]