ACLONIFEN

Molecular Structure of 2-Chloro-6-nitro-3-phenoxyaniline (CAS NO.74070-46-5):

EINECS: 277-704-1
IUPAC Name: 2-Chloro-6-nitro-3-phenoxyaniline
Molecular Formula: C₁₂H₉ClN₂O₃
Molecular Weight: 264.664460 g/mol
XLogP3-AA: 3.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Canonical SMILES: C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl
InChI: InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
InChIKey: DDBMQDADIHOWIC-UHFFFAOYSA-N
Index of Refraction: 1.656
Molar Refractivity: 68.37 cm³
Molar Volume: 186 cm³
Surface Tension: 58.9 dyne/cm
Density: 1.422 g/cm³
Flash Point: 172.4 °C
Enthalpy of Vaporization: 60.74 kJ/mol
Boiling Point: 361.5 °C at 760 mmHg
Vapour Pressure: 2.06E-05 mmHg at 25 °C
Water Solubility: 6.946 mg/L at 25 °C

1. 2,3,4-Trichloro-nitrobenzene reacts with Ammonia  in the autoclave at 50 °C to obtain the 2,3- Dichloro-6-nitroaniline .
2. 2-Chloro-6-nitro-3-phenoxyaniline was obtained by the back reaction of 2,3-Dichloro-6-nitroaniline with Sodium phenolate in the acetate .

Safety Information of 2-Chloro-6-nitro-3-phenoxyaniline (CAS NO.74070-46-5):
Hazard Codes: N 
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN3077 9/PG 3
RTECS: CX9858650
Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NO_x and Cl⁻.

  2-Chloro-6-nitro-3-phenoxyaniline with CAS registry number of 74070-46-5 is also known as Aclonifen ; Aclonifen [BSI:ISO] ; Benzenamine, 2-chloro-6-nitro-3-phenoxy- ; 2-Chloro-6-nitro-3-phenoxybenzenamine ; Bandur ; CME 127 ; Challenge . It is protoporphyrin oxidase inhibitor, diphenyl ether herbicide.