CAS 29636-65-5|m-Xylene-(dimethyl-d6)|1,3-Dimethyl-d6-benzene|1,3-二甲基-d6-苯|1,3-bis(2H3)methylbenzene|间-二甲苯-二甲基-d6|1,3-bis(2H3)methylbenzene

Molecular Formula

C₈H₁₀

Molecular Mass

106.165

Exact Mass

106.07825032

InChI

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

InChIKey

IVSZLXZYQVIEFR-UHFFFAOYSA-N

Canonic Smiles

Cc1cccc(c1)C

Isomeric Smiles

Cc1cccc(c1)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

14.095494

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

m-Xylene-(dimethyl-d6)1,3-Dimethyl-d6-benzene1,3-二甲基-d6-苯间-二甲苯-二甲基-d6

IUPAC Traditional name

1,3-bis(²H₃)methylbenzene

IUPAC name

1,3-bis(²H₃)methylbenzene

CAS Number

MDL Number

PubChem SID

PubChem CID

GHS Pictograms

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

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

H226-H312-H315-H332

UN 1307 3/PG 3

Physical Property

Product Information

mol wt 119.95 by atom % calculation

C8D6H4

98 atom % D

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Sigma Aldrich

587915

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

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Commercial Catalog

Academic Data

Synonyms

m-Xylene-(dimethyl-d6)1,3-Dimethyl-d6-benzene1,3-二甲基-d6-苯间-二甲苯-二甲基-d6

IUPAC Traditional name

1,3-bis(²H₃)methylbenzene

IUPAC name

1,3-bis(²H₃)methylbenzene

CAS Number

MDL Number

PubChem SID

PubChem CID

587915

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

Safety Information

Physical Property

Product Information

mol wt 119.95 by atom % calculation

C8D6H4

98 atom % D

Molecule

ID:134779