Basic information
- 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-PhenylbenzenemethanamineMFCD00008059Methanamine, 1,1-diphenyl-NSC 49127aminodiphenyl-methane
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 (lit.)
- Boiling point
- 295 °C · 295 °C (lit.)
- Density
- 1.063 g/mL · 1.063 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.595(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform, DMSO, Methanol
- form
- Liquid
- pka
- 8.41 · 8.41±0.10(Predicted)
- Specific Gravity
- 1.063 · 1.063
- color
- Clear colorless to yellow
- Water Solubility
- Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
- Sensitive
- Air Sensitive
- Merck
- 14 · 14,1076
- BRN
- 776434 · 776434
- InChI
- 1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
- InChIKey
- MGHPNCMVUAKAIE-UHFFFAOYSA-N
- SMILES
- NC(c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 91 · 91-00-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 BO6ISS9DX · 4BO6ISS9DX
- NIST Chemistry Reference
- Aminodiphenylmethane(91-00-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 4407300 · DA4407300
- F
- 9 · 9-23
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214990 · 29214990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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
Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20460
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
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
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
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Related reactions
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