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HCID 92389Erstellt: 27. Oktober 2026

2-Chlor-6-nitro-3-phenoxyanilin

CHALLENGE · bandur · Bandren · Cme 127 · Acloifen · ACLONIFEN · Aclonifen 10 · Einecs 277-704-1

https://huagongshe.com/de/chemical/92389

Molekülstruktur von 2-Chlor-6-nitro-3-phenoxyanilin

Identifikatoren & physikalische Daten

CAS No.	74070-46-5
Summenformel	C12H9ClN2O3
Durchschnittliche Molmasse	264,66 g/mol
Monoisotopische Masse	264,03016983 g/mol
SMILES	Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl
InChIKey	DDBMQDADIHOWIC-UHFFFAOYSA-N
PubChem CID	92389
ChEMBL	CHEMBL1485557
ChEBI	CHEBI:137374
EC No.	277-704-1
DTXSID	DTXSID7058175
Lokaler Name	2-Chlor-6-nitro-3-phenoxyanilin

Chemische & physikalische Eigenschaften

XLogP	3,8
Polarare Oberfläche (TPSA)	81,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	18
Formalladung	0
Komplexität	292
Pestizide	Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedHerbicidesEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Aclonifen) -> USDA PDB
LogP (Verteilungskoeffizient)	4.04
Human Drugs	Pharmaceuticals
Ionization Efficiency	Positive2.362.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Schmelzpunkt	81.5 °C
Siedepunkt	361.5±42.0 °C(Predicted)
Dichte	1.4257 (rough estimate)
Brechungsindex	1.5800 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	-3.15±0.25(Predicted)
Farbe	Light yellow to Yellow to Orange
BRN	8321574
Henry-Konstante	5.9×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Hauptanwendungen	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 (Verteilungskoeffizient)	4.040
EPA chemische Informationen	Aclonifen (74070-46-5)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH317: 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)H317 (83.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Regulatorische Informationen	Commission Regulation (EC) No 1490/2002Reg. (EU) 2022/708, 2008/116, Reg. (EU) 2017/195, Reg. (EU) 2023/918, Reg. (EU) No 540/2011
Hazard Classes and Categories	Skin Sens. 1A (83.3%)Carcinogenicity - category 2Carc. 2
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN3077 9/PG 3
Zollcode	29214200
RTECS-Nr.	CX9858650
R-Sätze (R)	50/53
Gefahrensymbole	N
Sicherheitshinweise (S)	60-61
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Aquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1A

Identifikatoren & physikalische Daten

CAS No.

74070-46-5

Summenformel

C12H9ClN2O3

Durchschnittliche Molmasse

264,66 g/mol

Monoisotopische Masse

264,03016983 g/mol

SMILES

Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl

InChIKey

DDBMQDADIHOWIC-UHFFFAOYSA-N

PubChem CID

92389

ChEMBL

CHEMBL1485557

ChEBI

CHEBI:137374

EC No.

277-704-1

DTXSID

DTXSID7058175

Lokaler Name

2-Chlor-6-nitro-3-phenoxyanilin

Chemische & physikalische Eigenschaften

XLogP

3,8

Polarare Oberfläche (TPSA)

81,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

292

Pestizide

Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedHerbicidesEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Aclonifen) -> USDA PDB

LogP (Verteilungskoeffizient)

4.04

Human Drugs

Pharmaceuticals

Ionization Efficiency

Positive2.362.7Agilent XCTElectrospray ionizationformic acid (5.3nM)

Schmelzpunkt

81.5 °C

Siedepunkt

361.5±42.0 °C(Predicted)

Dichte

1.4257 (rough estimate)

Brechungsindex

1.5800 (estimate)

Lagerbedingungen

2-8°C

Löslichkeit

Chloroform (Slightly), Methanol (Slightly)

pKa (Säurekonstante)

-3.15±0.25(Predicted)

Farbe

Light yellow to Yellow to Orange

BRN

8321574

Henry-Konstante

5.9×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)

Hauptanwendungen

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 (Verteilungskoeffizient)

4.040

EPA chemische Informationen

Aclonifen (74070-46-5)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH317: 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)H317 (83.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Regulatorische Informationen

Commission Regulation (EC) No 1490/2002Reg. (EU) 2022/708, 2008/116, Reg. (EU) 2017/195, Reg. (EU) 2023/918, Reg. (EU) No 540/2011

Hazard Classes and Categories

Skin Sens. 1A (83.3%)Carcinogenicity - category 2Carc. 2

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN3077 9/PG 3

Zollcode

29214200

RTECS-Nr.

CX9858650

R-Sätze (R)

50/53

Gefahrensymbole

Sicherheitshinweise (S)

60-61

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Aquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1A