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Benzene-d - 97 atom% D, 99% (CP), high purity , CAS No.1120-89-4

COA

Grade & Purity:

≥99%,≥97 atom% D

Cas Number: 1120-89-4
Molecular Weight: 79.12
MDL number: MFCD00003011
PubChem CID: 123097

In stock

Item Number

B468516

Grouped product items
SKU	Size	Availability	Price	Qty
B468516-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90

View related series

Stable isotope (189)

Basic Description

Synonyms	D98570 \| EINECS 214-321-0 \| deuterobenzene \| Benzene-d \| (?H)benzene \| DTXSID50149812 \| Benzene-d1 \| deuteriobenzene \| (2H)Benzene \| Benzene-d, 97 atom % D, 99% (CP) \| Monodeuteriobenzene
Specifications & Purity	CP, ≥99%,≥97atom%D
Storage Temp	Protected from light,Room temperature
Shipped In	Normal
Grade	CP
Product Description	Environmental Analysis, Synthetic Intermediates

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	deuteriobenzene
INCHI	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D
InChIKey	UHOVQNZJYSORNB-MICDWDOJSA-N
Smiles	[2H]c1ccccc1
Isomeric SMILES	[2H]C1=CC=CC=C1
Alternate CAS	71-43-2（unlabeled）
Molecular Weight	79.12

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light sensitive；Moisture sensitive
Refractive Index	n20/D 1.498 (lit.)
Boil Point(°C)	80 °C
Melt Point(°C)	5.5 °C
Molecular Weight	79.120 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	79.0532 Da
Monoisotopic Mass	79.0532 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	15.500
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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