CAS 74070-46-5 Aclonifen (HCID 92389)

Overview

Aclonifen is a primary amino compound that is aniline in which the phenyl group has been substituted at positions 2, 3, and 6 by chlorine, phenoxy, and nitro groups, respectively. A protoporphyrinogen oxidase (PPO) inhibitor, it is used as a herbicide against a broad range of weeds in a wide range of crops. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, a C-nitro compound, a substituted aniline, a primary amino compound and a member of monochlorobenzenes.

Names & identifiers

Preferred name: Aclonifen
IUPAC: 2-chloro-6-nitro-3-phenoxyaniline
English name: ACLONIFEN
Molecular formula: C12H9ClN2O3
Molecular weight: 264.66

Names & synonyms

Aclonifen74070-46-52-Chloro-6-nitro-3-phenoxyanilineBandurChallenge2-Chloro-6-nitro-3-phenoxybenzenamineCME 127DTXSID70581751762RDA835CHEBI:137374CME-127RefChem:109279

Show more names

BandrenAcloifenAclonifen 10Einecs 277-704-1Aclonifen, 100ppmAclonifen Solution

DTXCID3031943277-704-1Benzenamine, 2-chloro-6-nitro-3-phenoxy-MFCD00143542AclonifeneA1L38Aclonifen [BSI:ISO]2-chloro-6-nitro-3-phenoxy-aniline

Database identifiers

CAS: 74070-46-5
PubChem CID: 92389
DTXSID: DTXSID7058175
ChEMBL: CHEMBL1485557
ChEBI: CHEBI:137374
UNII: 1762RDA835
EC Number: 277-704-1
Nikkaji: J318.905H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 292

Experimental & physicochemical properties

Pesticides · 5 items

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Herbicides

Environmental transformation -> Pesticides (parent, predecessor)

Pesticide (Aclonifen) -> USDA PDB

LogP4.04

Human DrugsPharmaceuticals

Ionization Efficiency · 6 items

Positive

2.36

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physicochemical properties

Melting point: 81.5 °C · 81.5 °C
Boiling point: 361.5 · 361.5±42.0 °C(Predicted)
Density: 1.4257 · 1.4257 (rough estimate)
refractive index: 1.58 · 1.5800 (estimate)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: -3.15 · -3.15±0.25(Predicted)
color: Light yellow to Yellow to Orange
BRN: 8321574 · 8321574
Henry's Law Constant: 5.9 · 5.9×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application: agricultureenvironmental
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
SMILES: C1(N)=C([N+]([O-])=O)C=CC(OC2=CC=CC=C2)=C1Cl
LogP: 4.04 · 4.040
FDA UNII: 1762 RDA835 · 1762RDA835
EPA Substance Registry System: Aclonifen (74070-46-5)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H351-H410
Precautionary statements: 201 · P201-P202-P273-P280-P302+P352-P308+P313
PPE: Eyeshields, Gloves
Hazard Codes: N
Risk Statements: 50 · 50/53
Safety Statements: 60 · 60-61
RIDADR: 3077 · UN3077 9/PG 3
WGK Germany: 2 · 2
RTECS: 9858650 · CX9858650
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1A

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Warning

H317 (83.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 2 items

Commission Regulation (EC) No 1490/2002

Reg. (EU) 2022/708, 2008/116, Reg. (EU) 2017/195, Reg. (EU) 2023/918, Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 items

Skin Sens. 1A (83.3%)

Carcinogenicity - category 2

Carc. 2

Safety data

PPE: Eyeshields, Gloves
wgk: 2
rtecs: CX9858650
ridadr: UN3077 9/PG 3
hs_code: 29214200
risk_code: 50/53
Signal word: Warning
Symbol(GHS): GHS07,GHS08,GHS09
hazard_code: N
safety_code: 60-61
Storage Class: 11 - Combustible Solids
Hazard statements: H317-H351-H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1A
Precautionary statements: P201-P202-P273-P280-P302+P352-P308+P313

Chemistry & industry

Uses & manufacturing

Use Classification · 3 items

Herbicides

Environmental transformation -> Pesticides (parent, predecessor)

Pharmaceuticals

Applications · 2 items

DescriptionAclonifen is a herbicide that is used to control grass and broadleaved weeds. It is not highly soluble in water but is in many organic solvents. It is non-volatile and is not expected to leach to groundwater. It is moderately persistence in soil systems and can be very persistent in aquatic systems under certain conditions. It has a low mammalian toxicity and may bioaccumulate. It is a recognised skin irritant. It is relatively non-toxic to birds and honeybees but more so to most aquatic organisms.

UsesAclonifen is used as a pesticide and herbicide.

Suppliers77 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Aclonifen is a primary amino compound that is aniline in which the phenyl group has been substituted at positions 2, 3, and 6 by chlorine, phenoxy, and nitro groups, respectively. A protoporphyrinogen oxidase (PPO) inhibitor, it is used as a herbicide against a broad range of weeds in a wide range of crops. It has a role as a herbicide, an agrochemical, an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a carotenoid biosynthesis inhibitor. It is a member of monochlorobenzenes, an aromatic ether, a C-nitro compound, a substituted aniline and a primary amino compound.