4-플루오로프탈릭 언하이드라이드

1,3-Isobenzofurandione, 5-fluoro-

HCID 67572CAS 319-03-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1OC(=O)c2cc(F)ccc21
InChIKey: XVMKZAAFVWXIII-UHFFFAOYSA-N
분자식: C8H3FO3
평균 분자량: 166.11 g/mol
단동위원소 질량: 166.00662218

이름 및 식별자

우선 이름: 1,3-Isobenzofurandione, 5-fluoro-
IUPAC: 5-fluoro-2-benzofuran-1,3-dione
현지명: 4-플루오로프탈릭 언하이드라이드
영어명: 5-Fluoro-1,3-isobenzofurandione
분자식: C8H3FO3
분자량: 166.11

이름 및 동의어

4-Fluorophthalic anhydride319-03-95-Fluoro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5-fluoro-5-FLUORO-1,3-DIHYDRO-2-BENZOFURAN-1,3-DIONEDTXSID7059802NSC 42091RefChem:415091DTXCID8038437629-042-3923-092-2InChI=1/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3

이름 더 보기

4-플루오로프탈릭언하이드라이드4-플루오로프탈릭 무수물4-FPA4-Fluorophthalic4-Fluorophthalicanhydride97%4-FluorophthalicAnhydride>5-fluoro-3-isobenzofurandione4-Fluorophthalicanhydride,98%4-Fluor-phthalsaeure-anhydrid4-Fluorophthalic anhydride 97%4-Fluorophthalic anhydride,99%

5-Fluoroisobenzofuran-1,3-dione5-Fluoro-1,3-isobenzofurandione4-fluorophthalic acid anhydrideMFCD001913634-fluorobenzene-1,2-dicarboxylic anhydride5-Fluoro-isobenzofuran-1,3-dione4-fluorophthalicanhydrideNSC42091

데이터베이스 식별자

CAS: 319-03-9
PubChem CID: 67572
DTXSID: DTXSID7059802
EC Number: 629-042-3、923-092-2
Nikkaji: J534.089F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 238

실험 및 물리화학적 성질

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 75 · 75-79 °C (lit.)
끓는 점: 148 °C · 148°C 20mm
밀도: 1.55 · 1.55
인화점: 93 °C · >93°C
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 수산화나트륨에 용해됩니다.
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 131281 · 131281
InChI: InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey: XVMKZAAFVWXIII-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(F)C=C2)C(=O)O1
EPA: 1 · 1,3-Isobenzofurandione, 5-fluoro- (319-03-9)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
HS 번호: 29173990
risk_code: 22-36/37/38-42/43
hazard_code: Xn,Xi
safety_code: 26-36/37/39-45
포장분류: Ⅲ
위험 등급: IRRITANT, MOISTURE SENSITIVE
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Isobenzofurandione, 5-fluoro-: ACTIVE

응용 분야 · 2건

용도4-Fluorophthalic anhydride is used in the preparation of 5-fluoro-2-pyridin-3-ylmethyl-isoindole-1,3-dione by reacting with C-pyridin-3-yl-methylamine.

일반 설명4-Fluorophthalic anhydride is a fluorinated building block commonly used in chemical synthesis for the preparation of polyimide, pesticides, herbicides, and fungicides. It can be synthesized by treating 4-chlorophthalic anhydride with potassium fluoride.