1-Chloro-3-fluorobenzene-13C6|1-chloro-3-fluoro(1,2,3,4,5,6-13C6)benzene|1-chloro-3-fluoro(1,2,3,4,5,6-13C6)benzene

Molecular Formula

C₆H₄ClF

Molecular Mass

136.50329223

Exact Mass

136.01868506

InChI

InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

VZHJIJZEOCBKRA-IDEBNGHGSA-N

Canonic Smiles

F[13c]1[13cH][13cH][13cH][13c]([13cH]1)Cl

Isomeric Smiles

[13cH]1[13cH][13c]([13cH][13c]([13cH]1)Cl)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.7199924

LogD (pH = 7.4)

2.7199924

Log P

2.7199924

Molar Refractivity

31.0792

Polarizability

11.900165

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

1-Chloro-3-fluorobenzene-13C6

IUPAC name

1-chloro-3-fluoro(1,2,3,4,5,6-¹³C₆)benzene

IUPAC Traditional name

1-chloro-3-fluoro(1,2,3,4,5,6-¹³C₆)benzene

MDL Number

MFCD20264866

PubChem SID

162230774

PubChem CID

71309867

Product Information

Purity

98% (CP)

Linear Formula

Cl13C6H4F

Mol. Weight

mol wt 136.44 by atom % calculation

Isotopic Purity

99 atom % 13C

Safety Information

MSDS Link

Download link

GHS Precautionary statements

P210-P261-P305+P351+P338

Risk Statements

11-36/37/38

GHS Signal Word

Danger

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

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

European Hazard Symbols

Irritant (Xi)

Flammable (F)

Safety Statements

16-26-33

German water hazard class

GHS Hazard statements

H225-H315-H319-H335

Physical Property

No Data Available

Click here to submit data

No Data Available

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Sigma Aldrich

730106

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

Synonyms

1-Chloro-3-fluorobenzene-13C6

IUPAC name

1-chloro-3-fluoro(1,2,3,4,5,6-¹³C₆)benzene

IUPAC Traditional name

1-chloro-3-fluoro(1,2,3,4,5,6-¹³C₆)benzene

MDL Number

PubChem SID

PubChem CID

730106

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

Purity

98% (CP)

Linear Formula

Cl13C6H4F

Mol. Weight

mol wt 136.44 by atom % calculation

Isotopic Purity

99 atom % 13C

Safety Information

MSDS Link

Download link

GHS Precautionary statements

P210-P261-P305+P351+P338

Risk Statements

11-36/37/38

GHS Signal Word

Danger

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

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

European Hazard Symbols

Irritant (Xi)

Flammable (F)

Safety Statements

16-26-33

German water hazard class

GHS Hazard statements

H225-H315-H319-H335

Physical Property

Molecule

ID:136504