Basic information
- CAS
534-85-0- Standard SMILES
Nc1ccccc1Nc1ccccc1- InChIKey
NFCPRRWCTNLGSN-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004838
Overview
structure in first source
Names & identifiers
- Preferred name
- N-Phenyl-o-phenylenediamine
- IUPAC
- 2-N-phenylbenzene-1,2-diamine
- English name
- 2-Aminodiphenylamine
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
2-Aminodiphenylamine534-85-0N-Phenyl-o-phenylenediamine1,2-Benzenediamine, N-phenyl-o-Phenylenediamine, N-phenyl-DTXSID0049315NSC-18731G2X60K1Y26DTXCID9029271RefChem:465127208-606-9N1-Phenylbenzene-1,2-diamine
Show more names
C.I. 50005TIMTEC-BB SBB000244LABOTEST-BB LT00080731N-Phenyl-2-aminoanilineN-(2-aminophenyl)aniline
o-Semidineo-AminodiphenylamineN-Phenyl-1,2-phenylenediamineN-phenylbenzene-1,2-diamine2-N-phenylbenzene-1,2-diamineN-phenyl-1,2-benzenediamineMFCD00007685N-phenyl-1,2-diaminobenzene
Database identifiers
- CAS
534-85-0- PubChem CID
- 68297
- DTXSID
DTXSID0049315- ChEMBL
CHEMBL1547352- UNII
- G2X60K1Y26
- EC Number
- 208-606-9
- Nikkaji
- J1.591A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
LogP2.67
Physicochemical properties
- Melting point
- 77 · 77-80 °C(lit.)
- Boiling point
- 108 °C · 108 °C / 0.4mmHg
- Density
- 1.116 · 1.1160 (rough estimate)
- refractive index
- 1.6266 · 1.6266 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Crystalline Powder
- pka
- 4.45 · 4.45±0.10(Predicted)
- color
- Pink-violet or gray-brown
- Water Solubility
- Soluble in acetone, chloroform and benzene. Insoluble in water.
- BRN
- 908984 · 908984
- InChI
- InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H332 (44%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29215990
- risk_code
- 20/22-38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 22-24-28A-26
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H332-H315
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralSkin Irrit. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenediamine, N1-phenyl-: ACTIVE
Applications
UsesN-Phenyl-o-phenylenediamine is also used as an intermediate in organic synthesis and pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
89 records
Compound notes
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