3,6-Difluorophthalic anhydride

HCID 513918

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 652-40-4
표준 SMILES: O=C1OC(=O)c2c(F)ccc(F)c21
InChIKey: AVLRPSLTCCWJKC-UHFFFAOYSA-N
분자식: C8H2F2O3
평균 분자량: 184.1 g/mol
단동위원소 질량: 183.99720036

이름 및 식별자

우선 이름: 3,6-Difluorophthalic anhydride
IUPAC: 4,7-difluoro-2-benzofuran-1,3-dione
영어명: 3,6-DIFLUOROPHTHALIC ANHYDRIDE
분자식: C8H2F2O3
분자량: 184.1

이름 및 동의어

3,6-Difluorophthalic anhydride652-40-4DTXSID80333606RefChem:487557DTXCID50284696620-755-54,7-difluoroisobenzofuran-1,3-dione4,7-difluoro-2-benzofuran-1,3-dioneMFCD001345371,3-isobenzofurandione, 4,7-difluoro-3,6-Difluorophthalicanhydride4,7-difluoro-1,3-dihydro-2-benzofuran-1,3-dione

이름 더 보기

3,6-Diflurophthalic anhydride3,6-Difluorophthalic anhydride,99%3,6-Difluorophthalic anhydride 97%5,8-Difluoro-1,3-Isobenzofurandione4,7-Difluoro-1,3-isobenzofurandione3,6-difluororthobenzenedimacetic acid

4,7-Difluoro-isobenzofuran-1,3-dione4,7-Difluoro-1,3-isobenzofurandione (Technical Grade, ~90%)4,7-Difluoro-1,3-isobenzofurandione (Technical Grade, ~90per cent)3,6-Difluorophthalic Anhydride; 4,7-Difluoroisobenzofuran-1,3-dione; 3,6-Difluorophthalic Anhydride;3,6-Difluorophthalic anhydride treated BSASCHEMBL581013CHEMBL2270550SCHEMBL29476089

데이터베이스 식별자

CAS: 652-40-4
PubChem CID: 513918
DTXSID: DTXSID80333606
ChEMBL: CHEMBL2270550
EC Number: 620-755-5
Nikkaji: J743.053A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 240

물리화학적 성질

녹는점: 218 · 218-221 °C (lit.)
끓는 점: 315.7 · 315.7±32.0 °C(Predicted)
밀도: 1.658 · 1.658
저장 조건: Hygroscopic, Refrigerator, Under inert atmosphere
용해도: 에 용해됨아세토니트릴, DMSO
물리적 상태: 고체
색상: 하얀색
안정성: 수분에 민감한
InChI: InChI=1S/C8H2F2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChIKey: AVLRPSLTCCWJKC-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(F)=CC=C2F)C(=O)O1

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.