CAS 62367-40-2|1,2-Dimethylbenzene-3,4,5,6-d4|邻-二甲苯-3,4,5,6-d4(苯基-3,4,5,6-d4)|dimethyl(<sup>2</sup>H<sub>4</sub>)benzene|o-Xylene-3,4,5,6-d4 (phenyl-3,4,5,6-d4)|1,2-二甲苯-3,4,5,6-d4|dimethyl(...

Molecular Formula

C₈H₁₀

Molecular Mass

106.165

Exact Mass

106.07825032

InChI

InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3

InChIKey

CTQNGGLPUBDAKN-UHFFFAOYSA-N

Canonic Smiles

Cc1ccccc1C

Isomeric Smiles

c1ccc(c(c1)C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0000887

LogD (pH = 7.4)

3.0000887

Log P

3.0000887

Molar Refractivity

36.1404

Polarizability

13.944839

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

1,2-Dimethylbenzene-3,4,5,6-d41,2-二甲苯-3,4,5,6-d4o-Xylene-3,4,5,6-d4 (phenyl-3,4,5,6-d4)邻-二甲苯-3,4,5,6-d4(苯基-3,4,5,6-d4)

IUPAC Traditional name

dimethyl(²H₄)benzene

IUPAC name

dimethyl(²H₄)benzene

CAS Number

MDL Number

PubChem SID

PubChem CID

Physical Property

GHS Precautionary statements

P280

Risk Statements

10-20/21-38

UN Number

1307

Packing Group

H226-H312-H315-H332

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

UN 1307 3/PG 3

Product Information

Linear Formula

C6D4(CH3)2

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 110.16 by atom % calculation

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Sigma Aldrich

587923

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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Commercial Catalog

Academic Data

Synonyms

1,2-Dimethylbenzene-3,4,5,6-d41,2-二甲苯-3,4,5,6-d4o-Xylene-3,4,5,6-d4 (phenyl-3,4,5,6-d4)邻-二甲苯-3,4,5,6-d4(苯基-3,4,5,6-d4)

IUPAC Traditional name

dimethyl(²H₄)benzene

IUPAC name

dimethyl(²H₄)benzene

CAS Number

MDL Number

PubChem SID

PubChem CID

587923

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Physical Property

Safety Information

Product Information

Linear Formula

C6D4(CH3)2

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 110.16 by atom % calculation

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Molecule

ID:134778