Basic information
- Standard SMILES
BrC(c1ccccc1)c1ccccc1- InChIKey
OQROAIRCEOBYJA-UHFFFAOYSA-N- Molecular formula
- C13H11Br
- Average molar mass
- 247.13 g/mol
- Monoisotopic mass
- 246.00441245
Overview
Diphenylmethyl bromide is a white crystalline solid. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
Names & identifiers
- Preferred name
- Bromodiphenylmethane
- IUPAC
- [bromo(phenyl)methyl]benzene
- English name
- Bromodiphenylmethane
- Molecular formula
- C13H11Br
- Molecular weight
- 247.13
Names & synonyms
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]
Show more names
(bromomethylene)DibenzeneBENZHYDRYL BROMIDE1-Benzyl-2-broMobenzeneDIPHENYLBROMOMETHANECL048Bromodiphenylpha-BromodiphenyLBromodiphenylmethan
Methane, bromodiphenylalphaBromodiphenylmethanealphaPhenylbenzyl bromideRefChem:121585Methane, bromodiphenyl (8CI)DTXCID80818468Methane, bromodiphenyl (solution)Benzene, 1,1'(bromomethylene)bis
Database identifiers
- CAS
776-74-9- PubChem CID
- 236603
- DTXSID
DTXSID90870774- UNII
- LS6ZRZ2QNN
- EC Number
- 212-279-8
- Nikkaji
- J7.091B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
Chemical ClassesCorrosives
PolymersOther Classes -> Halogenated Polyaromatics
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]
Physicochemical properties
- Melting point
- 35 · 35-39 °C(lit.)
- Boiling point
- 184 °C20 · 184 °C20 mm Hg(lit.)
- Density
- 0 · 0,9 g/cm3
- refractive index
- 1.629 · 1.6290 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.45 g/l · 0.45g/l
- form
- powder to lump to clear liquid
- color
- White to cream to yellow to orange to brown crystals or fused solid
- PH
- 2 · 2 (H2O, 20℃)(saturated aqueous solution)
- Water Solubility
- Insoluble
- Sensitive
- Moisture Sensitive
- BRN
- 638544 · 638544
- CAS DataBase Reference
- 776 · 776-74-9(CAS DataBase Reference)
- FDA UNII
- 6 ZRZ2QNN · LS6ZRZ2QNN
- NIST Chemistry Reference
- 1 · Benzene, 1,1'-(bromomethylene)bis-(776-74-9)
- EPA Substance Registry System
- 1 · Benzene, 1,1'-(bromomethylene)bis- (776-74-9)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 501 · P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1770 · UN 1770
- WGK Germany
- 3 · 3
- RTECS
- 5350000 · PA5350000
- F
- 19 · 19-21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29036990 · 29036990
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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.)
DOT LabelCorrosive
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.
DOT ID and Guide1770 153
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsWater-Reactive
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
Air and Water ReactionsInsoluble in cold water. Decomposed by hot water to give corrosive hydrobromic acid.
Hazard Classes and Categories
Met. Corr. 1 (16.7%)
Corrosives
Safety & protection
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
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:
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
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
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PA5350000
- ridadr
- UN 1770
- hs_code
- 29036990
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314
- REACH Registrations
- Active
- Precautionary statements
- P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,1'-(bromomethylene)bis-: ACTIVE
Applications
UsesBenzhydryl Bromide is used as a reagent in the synthesis of O-(triazolyl)methyl carbamates as a novel and potent class of fatty acid amide hydrolase (FAAH) inhibitors.
UsesBenzhydryl 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.
General DescriptionBromodiphenylmethane is a white crystalline solid. Melting point 113°F. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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Syntechem Co.,Ltd[email protected]
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zhangjiagang vinsce bio-pharm. limited.86-512-58389969 · [email protected]
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Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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