CAS 1735-17-7|(2H12)cyclohexane|CYCLOHEXANE-D12|(2H12)cyclohexane|Cyclohexane-d12|环己烷-d12|Cyclohexane-d

Molecular Formula

C₆H₁₂

Molecular Mass

84.15948

Exact Mass

84.09390038

InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

InChIKey

XDTMQSROBMDMFD-UHFFFAOYSA-N

Canonic Smiles

C1CCCCC1

Isomeric Smiles

C1CCCCC1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.667412

LogD (pH = 7.4)

2.667412

Log P

2.667412

Molar Refractivity

27.606

Polarizability

11.082252

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

123129

Synonyms

CYCLOHEXANE-D₁₂Cyclohexane-d12环己烷-d12Cyclohexane-d

IUPAC name

(²H₁₂)cyclohexane

IUPAC Traditional name

(²H₁₂)cyclohexane

CAS Number

Beilstein Number

MDL Number

MSDS Link

GHS Signal Word

Danger

UN 1145 3/PG 2

11-38-50/53-65-67

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

9-16-25-33-60-61-62

1145

UN1145

H225-H304-H315-H336-H410

H225-H304-H400-H410-H315-H336

P210-P261-P273-P301+P310-P331-P501

P210-P241-P301+P310-P303+P361+P353-P405-P501A

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

Click here to submit data

MP Biomedicals

02510712

C₆D₁₂
Purity: 99.7% D atom.
d= 0.89 gm/ml
Flammable Liquid, UN 1145

Sigma Aldrich

308749

Packaging
Packaged in prescored ampule

151866

Packaging
1, 5, 10 g in ampule

269735

Packaging
10×1 mL in ampule

No Data Available

Click here to submit data

Academic Data

PubChem

123129

Synonyms

CYCLOHEXANE-D₁₂Cyclohexane-d12环己烷-d12Cyclohexane-d

IUPAC name

(²H₁₂)cyclohexane

IUPAC Traditional name

(²H₁₂)cyclohexane

CAS Number

Beilstein Number

MDL Number

C₆D₁₂
Purity: 99.7% D atom.
d= 0.89 gm/ml
Flammable Liquid, UN 1145

Sigma Aldrich

308749

Packaging
Packaged in prescored ampule

151866

Packaging
1, 5, 10 g in ampule

269735

Packaging
10×1 mL in ampule

No Data Available

Click here to submit data

Safety Information

Product Information

Physical Property

Nature polluting (N)

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

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

Flash Point

-18 °C

-.4 °F

-18°C(-1°F)

Melting Point

6.5°C

Apperance

Liquid in prescored ampoules, 1g/ampoule

Molecule

ID:106229