Hexadeuterobenzene 99.5%

CAT: 0286-H03438-01Size: 5 gDry Ice: NoHazardous: Yes

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CAT#:0286-H03438-01Size:5 g

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CAS Number

1076-43-3

Synonyms

Benzene-d6

UN Code

UN1114

Pictogram

02 - Flammable; 07 - Irritant; 08 - Health Hazard

UDF Signal Word

Danger

MDL Number

MFCD00003010

Hazard Statement

H225 Highly flammable liquid and vapor; H304 May be fatal if swallowed and enters airways; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H340 May cause genetic defects; H350 May cause cancer; H372 Causes damage to organs through prolonged or repeated exposure

Other Statements

EUH018 In use may form flammable/explosive vapour-air mixture

DOT Name

Benzene

DOT Classification

Class 3

Packaging Group

PGII

Precautions

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P308+P313 IF exposed or concerned: Get medical advice/attention; P331 Do NOT induce vomiting; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Benzene-D6

Benzene-d6 is a volatile organic compound, a member of benzenes, an aromatic annulene and a deuterated compound. It has a role as a NMR solvent.

CAS Number	1076-43-3
PubChem CID	71601
IUPAC Name	1,2,3,4,5,6-hexadeuteriobenzene
Molecular Formula	C6H6
Molecular Weight	84.15
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	15

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]

InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

InChIKey

UHOVQNZJYSORNB-MZWXYZOWSA-N

Chemical Structure

2D Structure

CAS: 1076-43-3

CID: 71601

Formula: C6H6

MW: 84.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	84.15
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	84.0846106671
Monoisotopic Mass	84.0846106671
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	15.5
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Hexadeuterobenzene 99.5%

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