2-丁烯-1,1,1-d3，顺式和反式的混合物|2-Butene-1,1,1-d3, mixture of cis and trans|(1,1,1-2H3)but-2-ene|(1,1,1-2H3)but-2-ene

Molecular Formula

C₄H₈

Molecular Mass

56.10632

Exact Mass

56.06260026

InChI

InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3

InChIKey

IAQRGUVFOMOMEM-UHFFFAOYSA-N

Canonic Smiles

CC=CC

Isomeric Smiles

CC=CC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8800789

LogD (pH = 7.4)

1.8800789

Log P

1.8800789

Molar Refractivity

21.3228

Polarizability

7.912242

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

2-丁烯-1,1,1-d3，顺式和反式的混合物2-Butene-1,1,1-d3, mixture of cis and trans

IUPAC name

(1,1,1-²H₃)but-2-ene

IUPAC Traditional name

(1,1,1-²H₃)but-2-ene

MDL Number

MFCD01317414

PubChem SID

162230309

PubChem CID

71309555

Physical Property

Flash Point

-4 °F

-20 °C

Boiling Point

1 °C

Mass Shift

M+3

GHS Signal Word

Danger

GHS Hazard statements

H220-H280

GHS Precautionary statements

P210-P410+P403

GHS Pictograms

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

Hazard Class

2.1

RID/ADR

UN 1012 2.1

German water hazard class

nwg

MSDS Link

Download link

Safety Statements

9-16-33

UN Number

1012

European Hazard Symbols

Highly flammable (F+)

Risk Statements

Product Information

Mol. Weight

mol wt 59.1 by atom % calculation

Purity

98% (CP)

Linear Formula

CH3CH=CHCD3

Isotopic Purity

99 atom % D

No Data Available

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No Data Available

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Sigma Aldrich

660264

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

2-丁烯-1,1,1-d3，顺式和反式的混合物2-Butene-1,1,1-d3, mixture of cis and trans

IUPAC name

(1,1,1-²H₃)but-2-ene

IUPAC Traditional name

(1,1,1-²H₃)but-2-ene

MDL Number

MFCD01317414

PubChem SID

162230309

PubChem CID

71309555

Physical Property

Flash Point

-4 °F

-20 °C

Boiling Point

1 °C

Mass Shift

M+3

Safety Information

Product Information

Mol. Weight

mol wt 59.1 by atom % calculation

Purity

98% (CP)

Linear Formula

CH3CH=CHCD3

Isotopic Purity

99 atom % D

Sigma Aldrich

660264

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

Molecule

ID:136038