CAS 93952-10-4|bromodichloro(13C)methane|Dichlorobromomethane-13C|bromodichloro(13C)methane|Bromodichloromethane-13C|NSC 8018-13C|Dichloromonobromomethane...

General Information

Structure

Molecular Formula

CHBrCl₂

Molecular Mass

164.82129484

Exact Mass

162.86722223

Charge

InChI

InChI=1S/CHBrCl2/c2-1(3)4/h1H/i1+1

InChIKey

FMWLUWPQPKEARP-OUBTZVSYSA-N

Canonic Smiles

Cl[13CH](Br)Cl

Isomeric Smiles

[13CH](Cl)(Cl)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9756733

LogD (pH = 7.4)

1.9756733

Log P

1.9756733

Molar Refractivity

24.1758

Polarizability

9.547835

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

bromodichloro(¹³C)methane

Synonyms

Dichlorobromomethane-13CBromodichloromethane-13CNSC 8018-13CDichloromonobromomethane-13CBromodichloromethane-13CMonobromodichloromethane-13C

IUPAC Traditional name

bromodichloro(¹³C)methane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Physical Property

Boiling Point

87 °C(lit.)

Density

1.992 g/mL at 25 °C(lit.)

Mass Shift

M+1

Safety Information

GHS Signal Word

Danger

European Hazard Symbols

Harmful (Xn)

Download link

Corrosive to metals, category 1

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

Serious eye damage, category 1

P261-P280-P305+P351+P338

22-37/38-40-41

H302-H315-H318-H335-H351

26-36/37/39

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Sigma Aldrich

741841

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.

TRC

B683417

The labelled analogue of a volatile halogenated methane present in trace amounts in drinking water as a result of the water treatment process. It is also present in swimming pools due to chlorination and can be used as tracers to identify water leaks. It

Molecule Details

References

PubChem Literature

From Data Sources

• Hargesheimer, E.E. et al.: Am. J. Water Works Assoc., 40, 631 (1983)

• Stanaback, R.J.: Tech. Pap. Soc. Plast. Engin., 23, 262 (1983)

• Nestmann, E.R. et al.: Water Chlorin. Env. Impact Health. Eff., 4, 1151 (1983)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

bromodichloro(¹³C)methane

Synonyms

Dichlorobromomethane-13CBromodichloromethane-13CNSC 8018-13CDichloromonobromomethane-13CBromodichloromethane-13CMonobromodichloromethane-13C

IUPAC Traditional name

bromodichloro(¹³C)methane

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Molecule Details

741841

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.

TRC

B683417

References

PubChem Literature

From Data Sources

• Hargesheimer, E.E. et al.: Am. J. Water Works Assoc., 40, 631 (1983)

• Stanaback, R.J.: Tech. Pap. Soc. Plast. Engin., 23, 262 (1983)

• Nestmann, E.R. et al.: Water Chlorin. Env. Impact Health. Eff., 4, 1151 (1983)

Bioactivity

PubChem BioAssay

Properties

Physical Property

Boiling Point

87 °C(lit.)

Density

1.992 g/mL at 25 °C(lit.)

Mass Shift

M+1

Safety Information

GHS Signal Word

Danger

European Hazard Symbols

Harmful (Xn)

Download link

Corrosive to metals, category 1

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

Serious eye damage, category 1

P261-P280-P305+P351+P338

22-37/38-40-41

H302-H315-H318-H335-H351

26-36/37/39

Molecule

ID:136591