4,5-Difluorophthalic Anhydride

HCID 639745CAS 18959-30-3

기본 정보

표준 SMILES: O=C1OC(=O)c2cc(F)c(F)cc21
InChIKey: UATBWQQFLABWKR-UHFFFAOYSA-N
분자식: C8H2F2O3
평균 분자량: 184.1 g/mol
단동위원소 질량: 183.99720036

이름 및 식별자

우선 이름: 4,5-Difluorophthalic Anhydride
IUPAC: 5,6-difluoro-2-benzofuran-1,3-dione
영어명: 4,5-DIFLUOROPHTHALIC ANHYDRIDE
분자식: C8H2F2O3
분자량: 184.1

이름 및 동의어

4,5-DIFLUOROPHTHALIC ANHYDRIDE18959-30-3DTXSID10348667RefChem:507717DTXCID40299739808-095-85,6-Difluoroisobenzofuran-1,3-dione5,6-difluoro-2-benzofuran-1,3-dione1,3-isobenzofurandione, 5,6-difluoro-MFCD086950335,6-difluoro-1,3-dihydro-2-benzofuran-1,3-dione4,5 difluorophthalic anhydride

이름 더 보기

PA-2F6-deoxy-6-fluorohexopyranose4,5-Difluorophthalic Anhydride >4,5-DIFLUOROPHTHALIC ANHYDRIDE 98%4,5-DIFLUOROPHTHALIC ANHYDRIDE，97%4,5-difluoro-1,3-Isobenzofurandione5,6-difluoro-1,3-Isobenzofurandione

AC-9809SY013434D4716EN300-933354,5-DifluorophthalicanhydrideFT-06013594,5-difluorophtalic anhydrid4,5-difluorophtalic anhydride

데이터베이스 식별자

CAS: 18959-30-3
PubChem CID: 639745
DTXSID: DTXSID10348667
EC Number: 808-095-8
Nikkaji: J1.044.749F

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: 99 · 99-100℃
끓는 점: 321.2 · 321.2±32.0 °C(Predicted)
밀도: 1.658 · 1.658
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 고체
색상: 회색
InChI: InChI=1S/C8H2F2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H
InChIKey: UATBWQQFLABWKR-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(F)C(F)=C2)C(=O)O1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 29329990
hazard_code: Xi
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명4,5-Difluorophthalic anhydride (CPA) is located on the twofold axis of the space group C2/c; the molecules are stacked in a two-dimensional sheet. It has a similar two-dimensional molecular sheet as 5,6-dichlorobenzfurazan 1-oxide (CBF), 4,5-dibromophthalic anhydride. The disordered CBF molecule is pseudoisomeric with the CPA molecule.