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Brom(diphenyl)methan

Bromodiphenylmethane

HCID 236603
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Grundinformationen

CAS
776-74-9
Standard-SMILES
BrC(c1ccccc1)c1ccccc1
InChIKey
OQROAIRCEOBYJA-UHFFFAOYSA-N
Summenformel
C13H11Br
Durchschnittliche Molmasse
247,13 g/mol
Monoisotopische Masse
246,00441

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

Bromodiphenylmethane776-74-9Diphenylmethyl bromideBenzene, 1,1'-(bromomethylene)bis-LS6ZRZ2QNNNSC-39226DTXSID90870774UN 17701,1'-(BROMOMETHYLENE)BIS(BENZENE)1,1'-(bromomethylene)bis[benzene]DIPHENYL METHYL BROMIDE, (SOLID)DIPHENYL METHYL BROMIDE, [SOLID]
Weitere Namen anzeigen
(bromomethylene)DibenzeneBENZHYDRYL BROMIDE1-Benzyl-2-broMobenzeneDIPHENYLBROMOMETHANECL048Bromodiphenylpha-BromodiphenyLBromodiphenylmethan
Methane, bromodiphenylalphaBromodiphenylmethanealphaPhenylbenzyl bromideRefChem:121585Methane, bromodiphenyl (8CI)DTXCID80818468Methane, bromodiphenyl (solution)Benzene, 1,1'(bromomethylene)bis

Datenbank-Bezeichner

CAS
776-74-9
PubChem CID
236603

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

Chemical ClassesCorrosives
PolymersOther Classes -> Halogenated Polyaromatics
Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

REACH registered substance: Bromo(diphenyl)methane (EC: 212-279-8)

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.)

DOT LabelCorrosive
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 Einträge

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 · 1 Eintrag

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.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,1'-(bromomethylene)bis-: ACTIVE
Anwendungen · 1 Eintrag

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

DiphenylmethanBrom

Nachgelagerte Produkte

CinnarizinAdrafinilEbastine2,2-Diphenylacetic acidBenzhydrylalkoholBenzhydryl isothiocyanate1,1-Diphenylpentane1-Benzhydrylpiperidin-4-oneDiphenylmethyl isocyanate 98

Zugehörige Reaktionen

264
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 20938
HRID 20938als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 32862
HRID 32862als Eduktuspto-grants-2008_09
Reaktionsgleichung von HRID 35154
HRID 35154als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 35369
HRID 35369als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 46459
HRID 46459als Eduktuspto-grants-1979_11
Reaktionsgleichung von HRID 89074
HRID 89074als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 91122
HRID 91122als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 106920
HRID 106920als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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DTXSID
DTXSID90870774
UNII
LS6ZRZ2QNN
EC Number
212-279-8
Nikkaji
J7.091B
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)
DOT ID and Guide1770 153
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsWater-Reactive
Reactivity Profile · 1 Eintrag

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 · 4 Einträge

Diphenylmethyl bromide

UN1770

Class 8 Corrosive material (49 eCFR § 173.136)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsInsoluble in cold water. Decomposed by hot water to give corrosive hydrobromic acid.
Hazard Classes and Categories · 2 Einträge

Met. Corr. 1 (16.7%)

Corrosives

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures · 2 Einträge

· 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 · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

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