CAS 62924-70-3 Flumetralin (HCID 62210)

Overview

Flumetralin is a C-nitro compound.

Names & identifiers

Preferred name: Flumetralin
IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
English name: Flumetralin
Molecular formula: C16H12ClF4N3O4
Molecular weight: 421.73

Names & synonyms

FLUMETRALIN62924-70-3PremierPrime+FlumetralineCGA-41065N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)anilineDTXSID7032553FF3TSN8UV22-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamineBenzenemethanamine, 2-chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluoro-DTXCID5012553

Show more names

N-（2-chloro-6-fluorobenzyl)-N-ethyl-α,α,α-trifluoro-2,6-dinitro-p-toluidinePrimePrimierfujieanPRIME(R)CAG 41065CHROMAFIL6-fluoro-

CGA 41065N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidineN-((2-chloro-6-fluorophenyl)methyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)anilineRefChem:140842613-108-3CGA 41065;PremierCGA 41065; Premier; Prime +Flumetralin [BSI:ISO]

Database identifiers

CAS: 62924-70-3
PubChem CID: 62210
DTXSID: DTXSID7032553
ChEMBL: CHEMBL1863540
ChEBI: CHEBI:82008
UNII: FF3TSN8UV2
EC Number: 613-108-3
Nikkaji: J22.597E

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 548

Experimental & physicochemical properties

Pesticides · 5 items

Plant Growth Regulators

Active substance -> EU Pesticides database: Not approved

Pesticides -> Plant Growth Regulators

Pesticide (Flumetralin) -> USDA PDB

Pesticide

LogP5.45

Vapor Pressure0.00000024 [mmHg]

Physical DescriptionYellow solid; [Aldrich MSDS]

Collision Cross Section178.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7032553]

Physicochemical properties

Melting point: 102 °C · 102 °C
Boiling point: 223.5 °C · 223.5°C (rough estimate)
Density: 1.5019 · 1.5019 (estimate)
Flash point: 100 °C · >100 °C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: -2.63 · -2.63±0.50(Predicted)
form: Solid
color: Yellow to Dark Orange
Henry's Law Constant: 5.2 · 5.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application: 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: 5.45 · 5.450
CAS DataBase Reference: 62924 · 62924-70-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1-2
FDA UNII: 3 TSN8UV2 · FF3TSN8UV2
NIST Chemistry Reference: 2 · Benzenemethanamine, 2-chloro-n-(2,6-dinitro-4-(trifluoromethyl)phenyl)-n-ethyl-6-fluoro-(62924-70-3)
EPA Substance Registry System: Flumetralin (62924-70-3)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H410
Precautionary statements: 273 · P273-P280-P305+P351+P338-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,N,F
Risk Statements: 36 · 36/38-43-50/53-67-66-36-11
Safety Statements: 36 · 36/37-60-61-26-16-9
RIDADR: 1090 · UN 1090 3/PG 2
WGK Germany: 2 · WGK 2
RTECS: 4391600 · DA4391600
HS Code: 29214300 · 29214300
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315: 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)

Warning

H315 (100%): 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)

Hazard information

Regulatory Information · 3 items

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

Hazards Summary · 1 item

Clinical findings in sub-chronic feeding study of dogs include weight loss, fever, and dehydration; Increased liver weight and kidney changes in chronic oral study of rats; Developmental 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 irritant; May cause skin sensitization; [Aldrich MSDS]

Hazard Classes and Categories · 3 items

Skin Irrit. 2 (100%)

Eye irritation - category 2

Skin Irrit. 2

Toxicology

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Toxicity DataLC50 (rat) > 2,220 mg/m3

RAIS Toxicity Values · 2 items

0.5

OPP

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 items

Flumetralin

Pesticide

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

EPA Human Health Benchmarks for Pesticides · 5 items

Flumetralin

0.5

10000

Females 13-49 yrs

Human Health Benchmarks for Pesticides - 2021 Update

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: WGK 2
rtecs: DA4391600
ridadr: UN 1090 3/PG 2
hs_code: 29214300
risk_code: 36/38-43-50/53-67-66-36-11
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N,F
safety_code: 36/37-60-61-26-16-9
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H317-H319-H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P273-P280-P305+P351+P338-P501

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used as plant growth regulator for tobacco; [Reference #1]

Farming (Pesticides) [Category: Industry]

Fludioxonil is used to control axillary bud (sucker) growth after the floral portion of tobacco plants have been topped.

Applications

UsesRefer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

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

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Additional notes

DefinitionChEBI: Flumetralin is a C-nitro compound.

Related reactions

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Compound notes

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Basic information