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2581-69-3

Basic Information
CAS No.: 2581-69-3
Name: DISPERSE ORANGE 1
Article Data: 11
Molecular Structure:
Molecular Structure of 2581-69-3 (DISPERSE ORANGE 1)
Formula: C18H14 N4 O2
Molecular Weight: 318.335
Synonyms: Benzenamine,4-[(4-nitrophenyl)azo]-N-phenyl- (9CI); C.I. Disperse Orange 1 (6CI,7CI,8CI);4-(4-Nitrophenylazo)diphenylamine; 4-(p-Nitrophenylazo)diphenylamine;4-Anilino-4'-nitroazobenzene; 4-Nitro-4'-(phenylamino)azobenzene; AcetateOrange 5R; Acetoquinone Light Orange 4RL; C.I. 11080; Celliton Discharge Orange5RL; Celliton Fast Orange 5R; Cilla Fast Orange 5R; Diacelliton Fast Orange R;Diacelliton Fast Orange RM/D; Disperse Orange 1; Disperse Orange 5R; DispersolFast Orange A; Dispersol Orange A; Dispersol Orange B-A; Dispersol PrintingOrange A; Miketon Fast Orange 5R; Miketon Polyester Orange 5R; Navilene Orange5R; Palanil Orange 5R; Reliton Orange 5R; Resolin Orange 5R; Serilene Orange5R; Serilene Orange 5R300; Serisol Orange 5R; Setacyl Scarlet 2GN; SetacylScarlet P 2G; Supracet Scarlet 2G; Vonteryl Red 4G
Density: 1.24g/cm3
Melting Point: 160 °C
Boiling Point: 535°Cat760mmHg
Flash Point: 277.4°C
Solubility: 0.4775ug/L(25 oC)
Hazard Symbols:
Risk Codes: 36/37/38-22
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 82.57000
LogP: 6.35000
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Chemistry

Molecular Structure of C.I. Disperse Orange 1 (2581-69-3):

EINECS: 219-954-6
IUPAC Name: 4-(4-Nitrophenyl)diazenyl-N-phenylaniline 
Molecular Formula: C18H14N4O2
Molecular Weight: 318.329360 g/mol
XLogP3: 5.5
H-Bond Donor: 1
H-Bond Acceptor: 5
Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H
InChIKey: YFVXLROHJBSEDW-UHFFFAOYSA-N
Index of Refraction: 1.642
Molar Refractivity: 92.67 cm3
Molar Volume: 256.2 cm3
Surface Tension: 52.4 dyne/cm
Density: 1.24 g/cm3
Flash Point: 277.4 °C
Enthalpy of Vaporization: 81.14 kJ/mol
Boiling Point: 535 °C at 760 mmHg
Vapour Pressure: 1.6E-11 mmHg at 25 °C
Melting Point: 160 °C
Water Solubility: 9.091 mg/L at 25 °C

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of C.I. Disperse Orange 1 (2581-69-3):
Hazard Codes: Xn
Risk Statements: 36/37/38-22
36/37/38: Irritating to eyes, respiratory system and skin
22: Harmful if swallowed
Safety Statements: 37/39-26
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: JJ9700000
F: 10-21
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

  C.I. Disperse Orange 1 (2581-69-3) is brown powder, known as 4-((p-Nitrophenyl)azo)diphenylamine ; 4-16-00-00457 (Beilstein Handbook Reference) ; 4-Anilino-4'-nitroazobenzene ; Acetate Orange 5R ; Acetoquinone Light Orange 4RL ; Benzenamine, 4-((4-nitrophenyl)azo)-N-phenyl- ; CI 11080 ; Celliton Discharge Orange 5RL ; Celliton Fast Orange 5R ; Cilla Fast Orange 5R ; Diacelliton Fast Orange R ; Diphenylamine, 4-((p-nitrophenyl)azo)- ; Disperse Orange 1 ; Disperse Orange 5R ; Dispersol Fast Orange A ; Dispersol Orange A ; Dispersol Printing Orange A ; HSDB 5535 ; Miketon Fast Orange 5R ; Miketon Polyester Orange 5R ; Navilene Orange 5R ; Palanil Orange 5R ; Reliton Orange 5R ; Resolin Orange 5R ; Serisol Orange 5R ; Setacyl Scarlet 2GN ; Setacyl Scarlet p-2G ; Supracet Scarlet 2G ; Vonteryl Red 4G ; 4-((4-Nitrophenyl)azo)-N-phenylaniline ; Benzenamine, 4-(2-(4-nitrophenyl)diazenyl)-N-phenyl- . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Nitrogen oxides, Carbon monoxide , Carbon dioxide .