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HCID 62210Erstellt: 27. Oktober 2026

Flumetralin

N-（2-chloro-6-fluorobenzyl)-N-ethyl-α,α,α-trifluoro-2,6-dinitro-p-toluidine · Prime · prime+ · Primier · premier · fujiean · PRIME(R) · CAG 41065

https://huagongshe.com/de/chemical/62210

Identifikatoren & physikalische Daten

CAS No.	62924-70-3
Summenformel	C16H12ClF4N3O4
Durchschnittliche Molmasse	421,73 g/mol
Monoisotopische Masse	421,04524642 g/mol
SMILES	CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey	PWNAWOCHVWERAR-UHFFFAOYSA-N
PubChem CID	62210
ChEMBL	CHEMBL1863540
ChEBI	CHEBI:82008
EC No.	613-108-3
DTXSID	DTXSID7032553

Chemische & physikalische Eigenschaften

XLogP	5,2
Polarare Oberfläche (TPSA)	94,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	4
Schwere Atome	28
Formalladung	0
Komplexität	548
Pestizide	Plant Growth RegulatorsActive substance -> EU Pesticides database: Not approvedPesticides -> Plant Growth RegulatorsPesticide (Flumetralin) -> USDA PDB
LogP (Verteilungskoeffizient)	5.45
Dampfdruck	0.00000024 [mmHg]
Physical Description	Yellow solid[Aldrich MSDS]
Collision Cross Section	178.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7032553]
Schmelzpunkt	102 °C
Siedepunkt	223.5°C (rough estimate)
Dichte	1.5019 (estimate)
Flammpunkt	>100 °C
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	-2.63±0.50(Predicted)
Aggregatzustand	Solid
Farbe	Yellow to Dark Orange
Henry-Konstante	5.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Hauptanwendungen	agricultureenvironmental
InChI	InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3
InChIKey	PWNAWOCHVWERAR-UHFFFAOYSA-N
SMILES	C1(CN(C2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)CC)=C(F)C=CC=C1Cl
LogP (Verteilungskoeffizient)	5.450
CAS Datenbank	62924-70-3(CAS DataBase Reference)
NIST chemische Informationen	Benzenemethanamine, 2-chloro-n-(2,6-dinitro-4-(trifluoromethyl)phenyl)-n-ethyl-6-fluoro-(62924-70-3)
EPA chemische Informationen	Flumetralin (62924-70-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Regulatorische Informationen	Regulation (EC) No 1107/2009 (amended)Flumetralin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Reg. (EC) No 2076/2002, Reg. (EU) 2015/2105, Reg. (EU) 2018/155, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) 2024/2848, Reg. (EU) No 540/2011
Gefahrenübersicht	Clinical findings in sub-chronic feeding study of dogs include weight loss, fever, and dehydrationIncreased liver weight and kidney changes in chronic oral study of ratsDevelopmental toxicity (increased fetal loss, fused sternebrae, and absent ossification of caudal vertebral centers) observed in rabbits at doses equal to or above those maternally toxic[Reference #1] Causes interstitial nephritis and bladder changes in 13-week intermittent oral studies of rats[RTECS] A skin and eye irritantMay cause skin sensitization[Aldrich MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye irritation - category 2
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Toxicity Data	LC50 (rat) > 2,220 mg/m3
RAIS Toxicity Values	0.5OPP
USGS Health-Based Screening Levels for Evaluating Water-Quality	FlumetralinPesticideSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Identifikatoren & physikalische Daten

CAS No.

62924-70-3

Summenformel

C16H12ClF4N3O4

Durchschnittliche Molmasse

421,73 g/mol

Monoisotopische Masse

421,04524642 g/mol

SMILES

CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

InChIKey

PWNAWOCHVWERAR-UHFFFAOYSA-N

PubChem CID

62210

ChEMBL

CHEMBL1863540

ChEBI

CHEBI:82008

EC No.

613-108-3

DTXSID

DTXSID7032553

Chemische & physikalische Eigenschaften

XLogP

5,2

Polarare Oberfläche (TPSA)

94,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

548

Pestizide

Plant Growth RegulatorsActive substance -> EU Pesticides database: Not approvedPesticides -> Plant Growth RegulatorsPesticide (Flumetralin) -> USDA PDB

LogP (Verteilungskoeffizient)

5.45

Dampfdruck

0.00000024 [mmHg]

Physical Description

Yellow solid[Aldrich MSDS]

Collision Cross Section

178.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7032553]

Schmelzpunkt

102 °C

Siedepunkt

223.5°C (rough estimate)

Dichte

1.5019 (estimate)

Flammpunkt

>100 °C

Lagerbedingungen

2-8°C

Löslichkeit

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

pKa (Säurekonstante)

-2.63±0.50(Predicted)

Aggregatzustand

Solid

Farbe

Yellow to Dark Orange

Henry-Konstante

5.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)

Hauptanwendungen

agricultureenvironmental

InChI

InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3

InChIKey

PWNAWOCHVWERAR-UHFFFAOYSA-N

SMILES

C1(CN(C2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)CC)=C(F)C=CC=C1Cl

LogP (Verteilungskoeffizient)

5.450

CAS Datenbank

62924-70-3(CAS DataBase Reference)

NIST chemische Informationen

Benzenemethanamine, 2-chloro-n-(2,6-dinitro-4-(trifluoromethyl)phenyl)-n-ethyl-6-fluoro-(62924-70-3)

EPA chemische Informationen

Flumetralin (62924-70-3)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatorische Informationen

Regulation (EC) No 1107/2009 (amended)Flumetralin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Reg. (EC) No 2076/2002, Reg. (EU) 2015/2105, Reg. (EU) 2018/155, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) 2024/2848, Reg. (EU) No 540/2011

Gefahrenübersicht

Clinical findings in sub-chronic feeding study of dogs include weight loss, fever, and dehydrationIncreased liver weight and kidney changes in chronic oral study of ratsDevelopmental toxicity (increased fetal loss, fused sternebrae, and absent ossification of caudal vertebral centers) observed in rabbits at doses equal to or above those maternally toxic[Reference #1] Causes interstitial nephritis and bladder changes in 13-week intermittent oral studies of rats[RTECS] A skin and eye irritantMay cause skin sensitization[Aldrich MSDS]

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye irritation - category 2

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).

Toxicity Data

LC50 (rat) > 2,220 mg/m3

RAIS Toxicity Values

0.5OPP

USGS Health-Based Screening Levels for Evaluating Water-Quality

FlumetralinPesticideSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP