Flumetralin

HCID 62210
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기본 정보

CAS
62924-70-3
표준 SMILES
CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey
PWNAWOCHVWERAR-UHFFFAOYSA-N
분자식
C16H12ClF4N3O4
평균 분자량
421.73 g/mol
단동위원소 질량
421.04524642

개요

Flumetralin is a C-nitro compound.

이름 및 식별자

우선 이름
Flumetralin
IUPAC
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
영어명
Flumetralin
분자식
C16H12ClF4N3O4
분자량
421.73

이름 및 동의어

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
이름 더 보기
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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
5.2
극성 표면적
94.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
4
무거운 원자 수
28

실험 및 물리화학적 성질

Pesticides · 5건

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 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7032553]

물리화학적 성질

녹는점
102 °C · 102 °C
끓는 점
223.5 °C · 223.5°C (rough estimate)
밀도
1.5019 · 1.5019 (estimate)
인화점
100 °C · >100 °C
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 3건

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 · 1건

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 · 3건

Skin Irrit. 2 (100%)

Eye irritation - category 2

Skin Irrit. 2

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLC50 (rat) > 2,220 mg/m3
RAIS Toxicity Values · 2건

0.5

OPP

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

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 · 5건

Flumetralin

0.5

10000

Females 13-49 yrs

Human Health Benchmarks for Pesticides - 2021 Update

안전 데이터

wgk
WGK 2
rtecs
DA4391600
ridadr
UN 1090 3/PG 2
HS 번호
29214300
risk_code
36/38-43-50/53-67-66-36-11
hazard_code
Xi,N,F

화학 및 산업

용도 및 제조

Uses · 3건

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.

상·하류 제품 정보

공급사100 곳

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]

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