ChemicalBook--->CAS DataBase List--->1076-43-3

1076-43-3

1076-43-3 Structure

1076-43-3 Structure
IdentificationMore
[Name]

BENZENE-D6
[CAS]

1076-43-3
[Synonyms]

BENZENE (12C6
D6)
BENZENE-D6
HEXADEUTEROBENZENE
(2H6)benzene
D6-Benzene
hexadeuterio-benzene
Hexadeuterobenzol
Perdeuteratedbenzene
Perdeuterobenzene
BENZENE-D7
Benzenedisotopicpurity
BENZENE-D6, 99.6 ATOM % D (SCREW-CAP BOT TLE)
BENZENE-D6, 99.5 ATOM % D (CONTAINS 1% V /V TMS)
BENZENE-D6, 1000MG, NEAT
BENZENE 99.5 ATOM % D
BENZENE-D6, 99.5 ATOM % D
BENZENE-D6, 99.6 ATOM % D, ANHYDROUS &
BENZENE-D6, 99.6 ATOM % D (0.03% V/V TMS )
BENZENE-D6, 99.6 ATOM % D (1PK=10 X 0.75 ML)
BENZENE-D6, 99.6 ATOM % D (CONTAINS 0.1% V/V TMS)
[EINECS(EC#)]

214-061-8
[Molecular Formula]

C6D6
[MDL Number]

MFCD00003010
[Molecular Weight]

84.15
[MOL File]

1076-43-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[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.)
[Fp ]

12 °F
[storage temp. ]

2-8°C
[solubility ]

Miscible with most organic solvents.
[form ]

Liquid
[color ]

Colorless
[Specific Gravity]

0.950
[Stability:]

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

UHOVQNZJYSORNB-MZWXYZOWSA-N
[CAS DataBase Reference]

1076-43-3(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive;Store under inert gas
[EPA Substance Registry System]

Benzene-d6 (1076-43-3)
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

R45:May cause cancer.
R11:Highly Flammable.
R36/38:Irritating to eyes and skin .
R48/23/24/25:Toxic: danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed .
R65:Harmful: May cause lung damage if swallowed.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R48/23/24:Toxic: danger of serious damage to health by prolonged exposure through inhalation and in contact with skin .
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

AZOBENZENE-D10-->NAPHTHALENE-D8-->HEXABROMOBENZENE-->TOLUENE-D8
[Preparation Products]

6-METHYL-2-(METHYLSULFANYL)PYRIMIDIN-4-YLAMINE-->PHENYL-D5-BORONIC ACID-->BENZYL-D7 ALCOHOL-->BENZOIC ACID-D5-->ANILINE D5-->Chlorofluoromethane
Hazard InformationBack Directory
[Chemical Properties]

BENZENE-D6 is colourless liquid
[Uses]

BENZENE-D6 is a common solvent used in NMR spectroscopy.
[Uses]

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

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

ChEBI: Benzene-d6 is a deuterated compound, a member of benzenes, an aromatic annulene and a volatile organic compound.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

BENZENE-D6(1076-43-3)MS
BENZENE-D6(1076-43-3)1HNMR
BENZENE-D6(1076-43-3)13CNMR
BENZENE-D6(1076-43-3)IR1
BENZENE-D6(1076-43-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Benzene-d6, 99.5% (Isotopic)(1076-43-3)
[Sigma Aldrich]

1076-43-3(sigmaaldrich)
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