사불화 프탈산

3,4,5,6-Tetrafluorophthalic acid

HCID 69544CAS 652-03-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O
InChIKey: YJLVXRPNNDKMMO-UHFFFAOYSA-N
분자식: C8H2F4O4
평균 분자량: 238.09 g/mol
단동위원소 질량: 237.98892142

이름 및 식별자

우선 이름: 3,4,5,6-Tetrafluorophthalic acid
IUPAC: 3,4,5,6-tetrafluorophthalic acid
현지명: 사불화 프탈산
영어명: Tetrafluorophthalic acid
분자식: C8H2F4O4
분자량: 238.09

이름 및 동의어

Tetrafluorophthalic acid652-03-93,4,5,6-Tetrafluorophthalic acidEINECS 211-483-4DTXSID10215502RefChem:485674DTXCID70137993211-483-41,2-Benzenedicarboxylic acid, 3,4,5,6-tetrafluoro-MFCD00002407tetrafluorobenzene-1,2-dicarboxylic acid3,4,5,6-tetrafluorobenzene-1,2-dicarboxylic acid

이름 더 보기

사불화프탈산테트라플루오로프탈산JACS-652-03-9RARECHEM AL BO 0016TetrafluorophthalicMoxifloxacin Impurity 82Moxifloxacin Impurity 95Tetrafluorophthalicacid98%6-Tetrafluorophthalic acid3,4,5,6-Tetrafluorophthalic

TetrafluorophthalicAcidSCHEMBL336394Tetrafluorophthalic acid, 98%IFLab1_001011SCHEMBL294499853,4,5,6-TETRAFLUORO-1,2-BENZENEDICARBOXYLIC ACIDHMS1414N213,4,5,6-tetrafluoro-phthalic acid

데이터베이스 식별자

CAS: 652-03-9
PubChem CID: 69544
DTXSID: DTXSID10215502
EC Number: 211-483-4
Nikkaji: J134.874D

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 280

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 152 · 152-154 °C(lit.)
끓는 점: 345.7 · 345.7±42.0 °C(Predicted)
밀도: 1.6239 · 1.6239 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 1.28 · 1.28±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 2057012 · 2057012
InChI: InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
InChIKey: YJLVXRPNNDKMMO-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C(F)C(F)=C(F)C(F)=C1C(O)=O
NIST: Tetrafluorophthalic acid(652-03-9)

화학적 성질

White to light yellow crystal 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29173990
risk_code: 36/37/38-37/38-36
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Tetrafluorophthalic Acid, can be used as a starting material in the synthesis of various chemical compounds such as Perfluoroanthracene (P227605), a perfluorinated graded index polymer optical fiber (PFGI-POF) component.