Basic information
- Standard SMILES
N=C(c1ccccc1)c1ccccc1- InChIKey
SXZIXHOMFPUIRK-UHFFFAOYSA-N- Molecular formula
- C13H11N
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.08914935
Names & identifiers
- Preferred name
- Benzophenone imine
- IUPAC
- diphenylmethanimine
- English name
- Benzophenone imine
- Molecular formula
- C13H11N
- Molecular weight
- 181.23
Names & synonyms
Benzophenone imineDiphenylmethanimine1013-88-3Benzophenoneimine1,1-diphenylmethaniminediphenylketimineBENZOPHENONIMINEBenzenemethanimine, alpha-phenyl-BENZHYDRYLIMINEBenzenemethanimine, .alpha.-phenyl-UNII-EJJ21NA7VIIMINODIPHENYLMETHANE
Show more names
BENZHYDRYLIDENEAMINEBenzenemethanimine, α-phenyl-Benzophone imine90-97%Benzophononeamine
EJJ21NA7VIBENZHYDRYLIDENIMINEMETHYLENIMINE, 1,1-DIPHENYL-BENZOPHENONE IMINE [MI]1,1-DIPHENYLMETHYLENIMINEDTXSID10870832.ALPHA.-PHENYLBENZENEMETHANIMINEalpha-Phenylbenzenemethanimine
Database identifiers
- CAS
1013-88-3- PubChem CID
- 136809
- DTXSID
DTXSID10870832- UNII
- EJJ21NA7VI
- EC Number
- 440-870-2、600-205-0
- Nikkaji
- J121.122F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -30 °C · -30 °C
- Boiling point
- 151 · 151-153 °C10 mm Hg(lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
- vapor pressure
- 0.082 Pa · 0.082Pa at 20℃
- refractive index
- 20 · n20/D 1.618(lit.)
- Flash point
- 145 °C · 145 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- pka
- 1 · pK1:6.82 (25°C)
- color
- Clear colorless to light yellow-brownish
- Water Solubility
- 0.3 g/L · 0.3 g/L (25 ºC)
- BRN
- 1100371 · 1100371
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
- InChIKey
- SXZIXHOMFPUIRK-UHFFFAOYSA-N
- SMILES
- N=C(c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 1013 · 1013-88-3(CAS DataBase Reference)
- FDA UNII
- 21 NA7VI · EJJ21NA7VI
- NIST Chemistry Reference
- Benzenemethanimine, «alpha»-phenyl-(1013-88-3)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,N,Xn
- Risk Statements
- 36 · 36/37/38-51/53-38-22
- Safety Statements
- 26 · 26-36-61-37
- RIDADR
- 3082 · UN3082
- WGK Germany
- 3 · 3
- HS Code
- 29252900 · 29252900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 110 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory InformationStatus: Active Update: 04-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/6180
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN3082
- hs_code
- 29252900
- risk_code
- 36/37/38-51/53-38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36-61-37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesUseful in the preparation of nitrile ylide dimers.Benzophenone imine as ammonia surrogate. As intermediate material for synthesis of organic chemicals. Catalytic enantioselective alkylation of the benzophenone imine of glycine t-butyl ester using phosphazene (Schwesinger) bases and chiral quaternary ammonium salts yields either enantiomer of amino acid derivatives in excellent yield.
UsesBenzophenone imine is useful in the preparation of nitrile ylide dimers.
Upstream & downstream products
Upstream raw materials
Downstream products
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