CAS 159301-45-8|2-(chloromethyl)(2-13C)oxirane|2-(chloromethyl)(2-13C)oxirane|Epichlorohydrin-2-13C|环氧氯丙烷-2-13C

Molecular Formula

C₃H₅ClO

Molecular Mass

93.51685484

Exact Mass

93.0062473

InChI

InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/i3+1

InChIKey

BRLQWZUYTZBJKN-LBPDFUHNSA-N

Canonic Smiles

ClC[13CH]1CO1

Isomeric Smiles

C1[13CH](O1)CCl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.6772814

LogD (pH = 7.4)

0.6772814

Log P

0.6772814

Molar Refractivity

20.057

Polarizability

8.123073

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

2-(chloromethyl)(2-¹³C)oxirane

IUPAC name

2-(chloromethyl)(2-¹³C)oxirane

Synonyms

Epichlorohydrin-2-13C环氧氯丙烷-2-13C

PubChem CID

CAS Number

MDL Number

PubChem SID

Product Information

Contains

hydroquinone as stabilizer

Empirical Formula (Hill Notation)

13CC2H5ClO

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 93.52 by atom % calculation

Safety Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

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

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Toxic (T)

45-10-23/24/25-34-43

53-45

H226-H301-H311-H314-H317-H331-H350

Danger

P201-P261-P280-P301+P310-P305+P351+P338-P310

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

604372

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

Commercial Catalog

Academic Data

IUPAC Traditional name

2-(chloromethyl)(2-¹³C)oxirane

IUPAC name

2-(chloromethyl)(2-¹³C)oxirane

Synonyms

Epichlorohydrin-2-13C环氧氯丙烷-2-13C

PubChem CID

CAS Number

MDL Number

PubChem SID

604372

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

Product Information

Contains

hydroquinone as stabilizer

Empirical Formula (Hill Notation)

13CC2H5ClO

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 93.52 by atom % calculation

Safety Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

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

Download link

Toxic (T)

45-10-23/24/25-34-43

53-45

H226-H301-H311-H314-H317-H331-H350

Danger

P201-P261-P280-P301+P310-P305+P351+P338-P310

Physical Property

Molecule

ID:135194