CAS 86393-33-1 Fluoroquinolonic acid (HCID 483180)

이름 및 식별자

우선 이름: Fluoroquinolonic acid
IUPAC: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
영어명: 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
분자식: C13H9ClFNO3
분자량: 281.67

이름 및 동의어

86393-33-1Fluoroquinolonic acid7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidUNII-95HKY59ZG695HKY59ZG6DTXSID9057846ENROFLOXACIN IMPURITY AEC 405-050-03-Quinolinecarboxylic acid, 1,4-dihydro-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-DTXCID0031635

이름 더 보기

Q-ACIDFLUOROQUINOLONETIMTEC-BB SBB0030167-CHLORO-6-FLUORO-1-CYCLOPROPYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID7-CHLORO-1-CYCLOPROPYL-1,4-DIHYDRO-6-FLUOROQUINOL-4-ONE-3-CARBOXYLIC ACID7-CHLORO-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACIDAKOS 1131Q.Acid levo1-Ciprofloxacin

FLUOROQUINOLONIC ACID [USP-RS]FLUOROQUINOLONIC ACID [USP IMPURITY]CIPROFLOXACIN IMPURITY A [EP IMPURITY]ENROFLOXACIN FOR VETERINARY USE IMPURITY A [EP IMPURITY]7-CHLORO-1-CYCLOPROPYL-6-FLUORO-3-CARBOXY-1,4-DIHYDRO-4-OXOQUINOLINE7-CHLORO-1-CYCLOPROPYL-6-FLUOROQUINOLIN-4-ONE-3-CARBOXYLIC ACIDFLUOROQUINOLONIC ACID (USP-RS)1-CYCLOPROPYL-6-FLUORO-7-CHLORO-1,4-DIHYDRO-4-OXOQUINOLIN-3-CARBOXYLIC ACID

데이터베이스 식별자

CAS: 86393-33-1
PubChem CID: 483180
DTXSID: DTXSID9057846
ChEMBL: CHEMBL2260465
UNII: 95HKY59ZG6
EC Number: 405-050-0、617-846-7
Nikkaji: J668.540D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 463

물리화학적 성질

녹는점: 242 · 242-245 °C(lit.)
끓는 점: 467.3 · 467.3±45.0 °C(Predicted)
밀도: 1.652 · 1.652±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa): 6.36 · 6.36±0.41(Predicted)
물리적 상태: Solid
색상: 황백색에서 밝은 노란색까지
InChI: InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)
InChIKey: ISPVACVJFUIDPD-UHFFFAOYSA-N
SMILES: N1(C2CC2)C2=C(C=C(F)C(Cl)=C2)C(=O)C(C(O)=O)=C1

화학적 성질

Off-White Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

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

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 02-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/3455

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 2
rtecs: VB1993795
HS 번호: 29334900
risk_code: 22-36/37/38-52/53
hazard_code: Xn,Xi
safety_code: 26-36-61-22
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도An intermediate in the synthesis of Ciprofloxacin, a fluorinated quinolone antibacterial

일반 설명7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, also known as fluoroquinolonic acid, can be prepared from ethyl 2,4-dichloro-5-fluorobenzoylacetate. It is formed as an intermediate during the synthesis of ciprofloxacin hydrochloride, a fluorinated quinolone antibacterial drug.