Benzhydrylamine
Basic information
- CAS
91-00-9- Standard SMILES
NC(c1ccccc1)c1ccccc1- InChIKey
MGHPNCMVUAKAIE-UHFFFAOYSA-N- Molecular formula
- C13H13N
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.10479942
Names & identifiers
- Preferred name
- Benzhydrylamine
- IUPAC
- diphenylmethanamine
- English name
- Benzhydrylamine
- Molecular formula
- C13H13N
- Molecular weight
- 183.25
Names & synonyms
AminodiphenylmethaneBENZHYDRYLAMINE91-00-91,1-Diphenylmethylamine4BO6ISS9DXDTXSID00238346NSC-49127RefChem:565097DTXCID20160837202-032-2diphenylmethanamine(Diphenylmethyl)amine
Show more names
AURORA KA-7667BenzyldrylamineBenzhydralaminebenzohydrylamineBenzylhydrylaminea-Phenylbenzylamine
1,1-diphenylmethanaminealpha-PhenylbenzylamineBenzenemethanamine, alpha-phenyl-alpha-PhenylbenzenemethanamineMethanamine, 1,1-diphenyl-MFCD00008059alpha-AminodiphenylmethaneNSC 49127
Database identifiers
- CAS
91-00-9- PubChem CID
- 7036
- DTXSID
DTXSID00238346- ChEMBL
CHEMBL467503- UNII
- 4BO6ISS9DX
- EC Number
- 202-032-2
- Nikkaji
- J4.332J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 12 °C · 12 °C
- Boiling point
- 304 °C · 304 °C
- Density
- 1.07 · 1.07
- refractive index
- 1.6 · 1.60
- Flash point
- 113 °C · 113 °C - closed cup
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform, DMSO, Methanol
- form
- clear liquid
- pka
- 8.41 · 8.41±0.10(Predicted)
- Specific Gravity
- 1.063 · 1.063
- color
- Colorless to Light orange to Yellow
- Water Solubility
- Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Benzhydrylamine (EC: 202-032-2)
Benzenemethanamine, .alpha.-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.1%)
Safety data
- F
- 9-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- DA4407300
- ridadr
- 2810
- hs_code
- 29214990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- 8
Chemistry & industry
Applications
UsesBenzhydrylamine is fine-chemical intermediate used for chiral resolution. It acts as an active pharmaceutical ingredient intermediate. It is also employed as a building block for chemical synthesis. Further, it is used in the preparation of furan-2-carboxylic acid benzhydrylamide by reacting with furan-2-carbonyl chloride.
Upstream & downstream products
Downstream products
Related reactions
333 records
Compound notes
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