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Benzene-d6

Benzene-d6 structure

CAS No:
1076-43-3
Formula:
C6D6
Chemical Name:
Benzene-d6
Synonyms:
Benzene-1,2,3,4,5,6-d6;Benzene-d6;Hexadeuterobenzene;Perdeuterobenzene;Perdeuteriobenzene;Hexadeuteriobenzene;Deuterobenzene;Perdeuterated benzene
Categories:
Chemical Reagents > Deuterated Reagents

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Description

BENZENE-D6 is colourless liquid

Benzene-d6 Basic Attributes

Molecular Weight：

84.15

Exact Mass：

84.084610

EC Number：

214-061-8

DSSTox ID：

DTXSID7037769

HScode：

29022000

Characteristics

PSA：

XLogP3：

2.22

Appearance：

Colorless Liquid

Density：

0.954 g/cm³ @ Temp: 17 °C

Melting Point：

-1 °C

Boiling Point：

82.5 °C

Flash Point：

12 °F

Refractive Index：

n 20/D 1.497(lit.)

Water Solubility：

Slightly soluble in water.Miscible with most organic solvents.

Storage Conditions：

2-8°C

Vapor Pressure：

101 hPa (20 °C)

Toxicity：

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

Explosive limit：

1.4-8.0%(V)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1114 3/PG 2

wgk germany：

hazard class code：

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

safety instructions：

53-45-36/37

Marks：

F,T

Stability/Shelf Life：

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

Precautionary statement(s)：

P201-P210-P280-P308 + P313-P370 + P378-P403 + P235

Hazard Statements：

H225-H304-H315-H319-H340-H350-H372

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P281, P301+P310, P302+P352, P303+P361+P353, P305+P351+P338, P308+P313, P314, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 55 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzene-d6 Use and Manufacturing

Uses

Deuterated benzene is a common solvent used in NMR spectroscopy. Benzene-D6 (C6D6) is a deuterated derivative of benzene, which is a standard purity solvent used for NMR (nuclear magnetic resonance) analysis.

Manufacturing Info：

Benzene-1,2,3,4,5,6-d6: ACTIVE

Computed Properties

Molecular Weight:84.15
XLogP3:2.1
Exact Mass:84.0846106671
Monoisotopic Mass:84.0846106671
Heavy Atom Count:6
Complexity:15.5
Isotope Atom Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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