Grundinformationen
- Standard-SMILES
BrC(c1ccccc1)c1ccccc1- InChIKey
OQROAIRCEOBYJA-UHFFFAOYSA-N- Summenformel
- C13H11Br
- Durchschnittliche Molmasse
- 247,13 g/mol
- Monoisotopische Masse
- 246,00441245
Überblick
Diphenylmethyl bromide is a white crystalline solid. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
Namen und Bezeichner
- Bevorzugter Name
- Bromodiphenylmethane
- IUPAC
- [bromo(phenyl)methyl]benzene
- Lokaler Name
- Brom(diphenyl)methan
- Englischer Name
- Bromodiphenylmethane
- Summenformel
- C13H11Br
- Molmasse
- 247.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
776-74-9- PubChem CID
- 236603
- DTXSID
DTXSID90870774- UNII
- LS6ZRZ2QNN
- EC Number
- 212-279-8
- Nikkaji
- J7.091B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 137
Experimentelle und physikochemische Eigenschaften
Physical Description
Diphenylmethyl bromide is a white crystalline solid. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
White solid; [CAMEO] Light brown solid with a pungent odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 35 · 35-39 °C(lit.)
- Siedepunkt
- 184 °C20 · 184 °C20 mm Hg(lit.)
- Dichte
- 0 · 0,9 g/cm3
- Brechungsindex
- 1.629 · 1.6290 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 0.45 g/l · 0.45g/l
- Aggregatzustand
- powder to lump to clear liquid
- Farbe
- White to cream to yellow to orange to brown crystals or fused solid
- PH
- 2 · 2 (H2O, 20℃)(saturated aqueous solution)
- Wasserlöslichkeit
- Insoluble
- BRN
- 638544 · 638544
- CAS Datenbank
- 776 · 776-74-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,1'-(bromomethylene)bis-(776-74-9)
- EPA chemische Informationen
- 1 · Benzene, 1,1'-(bromomethylene)bis- (776-74-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 20-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18890
Bromodiphenylmethane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards Summary
Decomposed by hot water evolving hydrobromic acid; Causes burns (in the presence of moisture) and lachrymation; [CAMEO] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Chlorodiphenylmethane and Diphenylmethane.
Reactivity Profile
Halogenated aliphatic compounds are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen 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.
DOT Hazard Classification
Diphenylmethyl bromide
UN1770
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Met. Corr. 1 (16.7%)
Corrosives
Sicherheit und Schutzausrüstung
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
Toxikologische Informationen
Sicherheitsdaten
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1770
- hs_code
- 29036990
- RTECS-Nr.
- PA5350000
- risk_code
- 34-37
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenBenzhydryl bromide is a halogenated building block. Benzhydryl group was preferred to the commoner benzyl to protect 2-nitrophenol in the Bartoli (vinyl Grignard) synthesis of 7-hydroxyindole. Protection was by reaction with the phenol in the presence of potassium carbonate in acetone; deprotection of the indole was by hydrogenolysis.
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