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| CAS No.: | 776-74-9 |
|---|---|
| Name: | Bromodiphenylmethane |
| Molecular Structure: | |
|
|
|
| Formula: | C13H11Br |
| Molecular Weight: | 247.134 |
| Synonyms: | Diphenylmethyl bromide;NSC 39226;a-Bromodiphenylmethane;a-Phenylbenzyl bromide;Bromo(diphenyl)methane;Methane,bromodiphenyl- (6CI,7CI,8CI);1,1'-(Bromomethylene)bis[benzene];1-[Bromo(phenyl)methyl]benzene;Benzhydryl bromide;Diphenylbromomethane; |
| EINECS: | 212-279-8 |
| Density: | 1.352 g/cm3 |
| Melting Point: | 35-39 °C(lit.) |
| Boiling Point: | 315.2 °C at 760 mmHg |
| Flash Point: | 138 °C |
| Solubility: | Insoluble in water |
| Appearance: | orange-red to orange-brown low melting solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1770 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 4.17090 |
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Chemistry
Molecule structure of Bromo(diphenyl)methane (CAS NO.776-74-9) :
IUPAC Name: 1-benzyl-2-bromobenzene
Molecular Weight: 247.13044 g/mol
Molecular Formula: C13H11Br
Density: 1.335 g/cm3
Melting Point: 45 °C
Boiling Point: 311.2 °C at 760 mmHg
Flash Point: 140.9 °C
Appreance: orange-red to orange-brown low melting solid
Molar Volume: 185 cm3
Polarizability: 25.07*10-24 cm3
Surface Tension: 41.2 dyne/cm
Enthalpy of Vaporization: 53.01 kJ/mol
Vapour Pressure: 0.00105 mmHg at 25 °C
Atmospheric OH Rate Constant: 4.57E-12 cm3/molecule-sec at 25 °C
XLogP3-AA: 4.5
Rotatable Bond Count: 2
Exact Mass: 246.004413
MonoIsotopic Mass: 246.004413
Heavy Atom Count: 14
Complexity: 161
Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2Br
InChI: InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey: DLCYFIIONMLNAJ-UHFFFAOYSA-N
EINECS: 212-279-8
Product Categories: Pharmaceutical Intermediates
Uses
Bromo(diphenyl)methane (CAS NO.776-74-9) is used as pharmaceutical intermediate. And with anhydrous piperazine, benzene, propylene chloride condensation of available long-acting vasoconstrictor multifunctional antagonist Guiyi hydrochloride.
Production
Bromo(diphenyl)methane (CAS NO.776-74-9) is made in the light of diphenylmethane heating, dropping bromine at 130 °Cheat 1h.
Safety Profile
Hazard Codes: 
C
Risk Statements: 34-37
R34: Causes burns
R37: Irritating to respiratory system
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 1770 8/PG 2
WGK Germany: 3
RTECS: PA5350000
F: 19-21
HazardClass: 8
PackingGroup: II
HS Code: 29036990
Specification
Bromo(diphenyl)methane (CAS NO.776-74-9) is also called Benzhydryl bromide ; Diphenylbromomethane ; Diphenylmethyl bromide ; Diphenylmethyl bromide solution (DOT) ; Methane, bromodiphenyl- (solution) ; alpha-Bromodiphenylmethane . Bromo(diphenyl)methane (CAS NO.776-74-9) is insoluble in cold water and decomposed by hot water to give corrosive hydrobromic acid. In the presence of moisture corrosive to tissue and most metals. Halogenated aliphatic compounds are moderately or very reactive. Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. It is combustible material. It may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.