bromodichloromethane

• ChemBase ID: 126255
• Molecular Formular: CHBrCl2
• Molecular Mass: 163.82864
• Monoisotopic Mass: 161.86386739
• SMILES: BrC(Cl)Cl
• Canonical SMILES: ClC(Br)Cl
• InChI: InChI=1S/CHBrCl2/c2-1(3)4/h1H
• InChIKey: FMWLUWPQPKEARP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromodichloromethane
• IUPAC Traditional name: bromodichloromethane
• Synonyms: Bromodichloromethane; Dichloromonobromomethane; Monobromodichloromethane; NSC 8018; Bromodichloromethane (stabilized with Ethanol); FC-20B1; dichlorobromomethane; Bromodichloromethane; 二氯溴甲烷; 一溴二氯甲烷; 溴二氯代甲烷

Database IDs

• CAS Number: 75-27-4
• EC Number: 200-856-7
• MDL Number: MFCD00000824
• Beilstein Number: 1697005
• Merck Index: 141417
• PubChem SID: 24848395; 162220594; 24863010
• PubChem CID: 6359
• CHEBI ID: 34591
• CHEMBL: 346231
• Chemspider ID: 6119
• KEGG ID: C14708
• Wikipedia Title: Bromodichloromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9756733
• LogD (pH = 7.4): 1.9756733
• Log P: 1.9756733
• Molar Refractivity: 24.1758 cm^3
• Polarizability: 9.547835 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4.5 g/l at 20 °C in water
• Apperance: Colorless liquid
• Melting Point: -55 °C(lit.); -57 °C; -57°C
• Boiling Point: 87 °C(lit.); 87-89°C; 90 °C
• Density: 1.98 g/mL at 25 °C(lit.); 1.980 g/cm^3; 1.983
• Refractive Index: 1.4972; n20/D 1.497(lit.)

Safety Information

• RTECS: PA5310000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-40-41; 45-22-36/37/38; R45 R46 R20/21/22 R36/37/38
• Safety Statements: 26-36/37/39; 53-45; S45 S26 S28 S27 S36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335-H350; H302-H315-H318-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98%; 98%, stab. with potassium carbonate
• Grade: analytical standard, for environmental analysis
• Contains: potassium carbonate as stabilizer
• Quality: amylene stabilized
• Linear Formula: BrCHCl2

DETAILS

Sigma Aldrich - 139181

包装
10, 50, 100 g in glass bottle

Toronto Research Chemicals - B683415

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 is useful as chain transf

REFERENCES

• Nestmann, E.R. et al.: Water Chlorin. Env. Impact Health. Eff., 4, 1151 (1983)
• Hargesheimer, E.E. et al.: Am. J. Water Works Assoc., 40, 631 (1983)
• Stanaback, R.J.: Tech. Pap. Soc. Plast. Engin., 23, 262 (1983)
• Source of dichlorocarbene, on treatment with base.