Basic information
- CAS
552-82-9- Standard SMILES
CN(c1ccccc1)c1ccccc1- InChIKey
DYFFAVRFJWYYQO-UHFFFAOYSA-N- Molecular formula
- C13H13N
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.10479942
Names & identifiers
- Preferred name
- Methyldiphenylamine
- IUPAC
- N-methyl-N-phenylaniline
- English name
- N-Methyldiphenylamine
- Molecular formula
- C13H13N
- Molecular weight
- 183.25
Names & synonyms
Show more names
Database identifiers
- CAS
552-82-9- PubChem CID
- 11098
- DTXSID
DTXSID4060284- UNII
- B28ZGH99IH
- EC Number
- 209-023-2
- Nikkaji
- J37.748A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -7.6 °C · -7.6 °C
- Boiling point
- 293 °C · 293 °C (lit.)
- Density
- 1.05 g/mL · 1.05 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.623(lit.)
- Flash point
- 230 °F · 230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- pka
- 1 · 1.00±0.20(Predicted)
- color
- White to beige
- Water Solubility
- INSOLUBLE
- Merck
- 14 · 14,6054
- InChI
- 1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
- InChIKey
- DYFFAVRFJWYYQO-UHFFFAOYSA-N
- SMILES
- CN(c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 552 · 552-82-9(CAS DataBase Reference)
- FDA UNII
- 28 ZGH99IH · B28ZGH99IH
- NIST Chemistry Reference
- Benzenamine, N-methyl-N-phenyl-(552-82-9)
- EPA Substance Registry System
- Benzenamine, N-methyl-N-phenyl- (552-82-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29214400 · 29214400
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29214400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesN-Methyldiphenylamine may be used for the synthesis of phosphonium ion salts. It may also be used as a starting reagent for the preparation of bis(4-carboxyphenyl)-N-methylamine (H2CPMA).
Usesmanufacture of dyes; as reagent similar to diphenylamine.
General DescriptionN-Methyldiphenylamine is an aromatic tertiary amine. It undergoes transformation to N-methylcarbazole (C) via a photochemical reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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