Fluoroimide

HCID 93228CAS 41205-21-4

기본 정보

표준 SMILES: O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1
InChIKey: IPENDKRRWFURRE-UHFFFAOYSA-N
분자식: C10H4Cl2FNO2
평균 분자량: 260.04 g/mol
단동위원소 질량: 258.96031195

개요

Fluoroimide is a maleimide that is substituted at positions 3 and 4 by chlorines and on the nitrogen by a p-fluorophenyl group. Previously used as a fungicide (now obsolete). It has a role as an antifungal agrochemical. It is an organochlorine pesticide, an organofluorine pesticide, a member of maleimides, a member of monofluorobenzenes and a dicarboximide fungicide.

이름 및 식별자

우선 이름: Fluoroimide
IUPAC: 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione
영어명: Fluoroimide
분자식: C10H4Cl2FNO2
분자량: 260.05

이름 및 동의어

Fluoroimide41205-21-43,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dioneFluoromideSpartcideSparticide2,3-Dichloro-N-4-fluorophenylmaleimideMK 23N-p-Fluorophenyl-2,3-dichloromaleimideUNII-2RA6KRO7U92RA6KRO7U91H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-fluorophenyl)-

이름 더 보기

mk23SpatcideNSC 622384fluoroimide (jmaf)FLUOROIMIDE STANDARDOTAVA-BB BB7014250005

BRN 1534427DTXSID7058092CHEBI:818263,4-dichloro-1-(4-fluorophenyl)-1N-pyrrole-2,5-dioneRefChem:140946DTXCID3031860609-898-4IPENDKRRWFURRE-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 41205-21-4
PubChem CID: 93228
DTXSID: DTXSID7058092
ChEMBL: CHEMBL1989810
ChEBI: CHEBI:81826
UNII: 2RA6KRO7U9
EC Number: 609-898-4
Nikkaji: J1.893G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 351

실험 및 물리화학적 성질

LogP2.3

물리화학적 성질

녹는점: 238 · 238~242℃
끓는 점: 324.7 · 324.7±42.0 °C(Predicted)
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
증기압: 3.4 x · 3.4 x 10-3 Pa (25 °C)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(적게), 메탄올(약간)에 용해됨
물리적 상태: 고체
수용성: 5.9 mg · 5.9mg l-1(20°C)
산도 계수 (pKa): -4.79 · -4.79±0.60(Predicted)
색상: 황백색에서 밝은 노란색까지
Henry's Law Constant: 7.7 · 7.7×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P271, P273, P280, P304+P340, P305+P354+P338, P316, P317, P321, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

유해성 정보

Hazard Classes and Categories · 2건

Eye Dam. 1 (100%)

Acute toxicity (Inhalation: Dusts and mists) - Category 3

안전 데이터

ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code: 23-41-51/53
hazard_code: T,N
safety_code: 26-39-45-61
기존화학 물질: KE-10136

화학 및 산업

응용 분야 · 1건

용도Fluoroimide is used to control Monilinia mali and Mycosphaerella pomi in apples, Diaporthe citri and Elsinoe fawcetti in citrus, Corticium spp. in rubber trees, Botryfis cinerea and Peronospora destructor in onions, Colletotrichum theae-sinensis and Exobasidium vexans in tea, Phytophthora infestans in potatoes at 2-5 kg a.i. ha-1 and Cercospora kaki and Mycosphaerella mwae in persimmons at 0.5-2 kg ha-1.

공급사30 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

추가 설명

정의ChEBI: A maleimide that is substituted at positions 3 and 4 by chlorines and on the nitrogen by a p-fluorophenyl group. Previously used as a fungicide (now obsolete).