2,3,5,6-Tetrafluoroterephthalic acid

HCID 69549CAS 652-36-8

기본 정보

표준 SMILES: O=C(O)c1c(F)c(F)c(C(=O)O)c(F)c1F
InChIKey: WFNRNCNCXRGUKN-UHFFFAOYSA-N
분자식: C8H2F4O4
평균 분자량: 238.09 g/mol
단동위원소 질량: 237.98892142

이름 및 식별자

우선 이름: 2,3,5,6-Tetrafluoroterephthalic acid
IUPAC: 2,3,5,6-tetrafluoroterephthalic acid
영어명: Tetrafluoroterephthalic acid
분자식: C8H2F4O4
분자량: 238.09

이름 및 동의어

652-36-82,3,5,6-Tetrafluoroterephthalic acid2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-M6NM6WEY2HNSC-96897EINECS 211-489-7DTXSID402155102,3,5,6-TETRAFLUOROBENZENE-1,4-DIOIC ACIDNSC 96897P-TETRAFLUOROBENZENEDICARBOXYLIC ACIDRefChem:441796

이름 더 보기

DK7482JACS-652-36-8RARECHEM AL BO 0018Tetrafluoroterephthalicacid97%Tetrafluoroterephthalic acid 97%Tetrafluoroterephthalyl chloride

DTXCID70138001211-489-7Tetrafluoroterephthalic acidTetrafluorobenzene-1,4-dicarboxylic acidMFCD000123012,3,5,6-tetrafluorobenzene-1,4-dicarboxylic acidTetrafluoroterephthalic acid, 97%NSC96897

데이터베이스 식별자

CAS: 652-36-8
PubChem CID: 69549
DTXSID: DTXSID40215510
UNII: M6NM6WEY2H
EC Number: 211-489-7
Nikkaji: J205.934G

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: 264

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 275 · 275-277 °C (dec.)(lit.)
끓는 점: 337.9 · 337.9±42.0 °C(Predicted)
밀도: 1.812 · 1.812±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
수용성: very faint turbidity in hot Water
물리적 상태: powder to crystal
산도 계수 (pKa): 0.95 · 0.95±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChIKey: WFNRNCNCXRGUKN-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C(F)C(F)=C(C(O)=O)C(F)=C1F
NIST: Terephthalic acid, tetrafluoro-(652-36-8)

화학적 성질

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.