프탈라이드

Fthalide

HCID 33791CAS 27355-22-2

기본 정보

표준 SMILES: O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIKey: NMWKWBPNKPGATC-UHFFFAOYSA-N
분자식: C8H2Cl4O2
평균 분자량: 271.9 g/mol
단동위원소 질량: 269.88089002

개요

4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. A fungicide used for the control of rice blast, it is not approved for use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a tetrachlorobenzene, an organic heterobicyclic compound, a propan-1-ol and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one.

이름 및 식별자

우선 이름: Fthalide
IUPAC: 4,5,6,7-tetrachloro-3H-2-benzofuran-1-one
현지명: 프탈라이드
영어명: FTHALIDE
분자식: C8H2Cl4O2
분자량: 271.91

이름 및 동의어

Fthalidetetrachlorophthalide4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE44IHE2M2T44,5,6,7-tetrachloroisobenzofuran-1(3H)-oneDTXSID2058045RefChem:6013914,5,6,7-tetrachloro-1,3-dihydro-2-benzofuran-1-oneDTXCID803181327355-22-24,5,6,7-TETRACHLOROPHTHALIDEPhthalide, 4,5,6,7-tetrachloro-

이름 더 보기

테트라클로로프탈라이드프탈라이드프탈라이드KF-32UX007BLASINUX 007UX-007RABCIDEFTHALIDIND106011bayer96610

4,5,6,7-Tetrachloro-2-benzofuran-1(3H)-one4,5,6,7-TETRACHLORO-PHTHALIDEPhthalide 13C64,5,6,7-TetrachlorophthalidefthalideBRN 01824774,5,6,7-tetrachloro-3H-2-benzofuran-1-oneUNII-44IHE2M2T4SCHEMBL27454

데이터베이스 식별자

CAS: 27355-22-2
PubChem CID: 33791
DTXSID: DTXSID2058045
ChEMBL: CHEMBL357452
ChEBI: CHEBI:47617
UNII: 44IHE2M2T4
EC Number: 608-088-8
Nikkaji: J1.881C

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 260

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

LogP3.22

물리화학적 성질

녹는점: 209.5 ℃ · 209.5℃
끓는 점: 381.73 °C · 381.73°C (rough estimate)
밀도: 1.767 · 1.767±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.5282 · 1.5282 (estimate)
저장 조건: 0 · 0-6°C
Henry's Law Constant: 1.8 · 1.8×101 mol/(m3Pa) at 25℃, Kawamoto and Urano (1989)
EPA: 4 · 4,5,6,7-Tetrachlorophthalide (27355-22-2)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

유해성 정보

Hazard Classes and Categories · 2건

Aquatic Acute 1 (100%)

Hazardous to the aquatic environment (Acute) - Category 1

안전 데이터

독성: LD50 oral in rat: 20gm/kg
기존화학 물질: KE-33305

화학 및 산업

응용 분야

용도Phthalide (Fthalide) is a fungicide used against the Penicillium and Aspergiillus species of fungus. Pesticide.

상·하류 제품 정보

상류 원료

o-자일렌 아조비스이소부티로니트릴

하류 제품

릴마자폰 D-시로-이노시톨, 3-O[2-아미노-4-[(카르복시미노메틸)아미노]-2,3,4,5-테트라디옥시-a-D-아라비노-헥소파이라노실]-

공급사39 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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

추가 설명 · 1건

정의ChEBI: A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. A fungicide used for the control of rice blast, it is not approved for use within the European Union.