4,7-Dichloroquinoline (HCID 6866)

이름 및 식별자

우선 이름: 4,7-Dichloroquinoline
IUPAC: 4,7-dichloroquinoline
영어명: 4,7-Dichloroquinoline
분자식: C9H5Cl2N
분자량: 198.05

이름 및 동의어

4,7-Dichloroquinoline86-98-6QUINOLINE, 4,7-DICHLORO-DTXSID0052590NSC-593Z61O2HEQ2JDTXCID7031163RefChem:96722201-714-7Amodiaquine Impurity 1MFCD000067744,7-Dichloro-quinoline

이름 더 보기

COPPER SEBACATESulfate Impurity4,7-dichloro-quinolinChloroquine Related CoMpound Atl14734, 7-dichloroquine7-DichloroquinolineChloroquine USP RC AAmodiaquine Impurity

TL 1473BRN 01253594,7-Dichloroquinoline, 97%NSC5931138471-54-15-20-07-00316 (Beilstein Handbook Reference)Tox21_303863AM81211

데이터베이스 식별자

CAS: 86-98-6
PubChem CID: 6866
DTXSID: DTXSID0052590
ChEMBL: CHEMBL319828
UNII: Z61O2HEQ2J
EC Number: 201-714-7
Nikkaji: J3.898I

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

실험 및 물리화학적 성질

Vapor Pressure0.00077 [mmHg]

Physical DescriptionCrystals; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 81 · 81-83 °C (lit.)
끓는 점: 298.4 °F · 298.4 °F (148°C)
밀도: 1.4178 · 1.4178 (rough estimate)
증기압: 0.103 Pa · 0.103Pa at 25℃
굴절률: 1.63 · 1.6300 (estimate)
인화점: 164 °C · 164 °C
저장 조건: 2 · 2-30°C
용해도: 50 mg/mL, · 클로로포름: 가용성 50mg/mL, 투명, 무색~녹황색
산도 계수 (pKa): 1.99 · 1.99±0.27(Predicted)
물리적 상태: 가루
색상: 흰색에서 옅은 갈색까지
수소이온지수(pH): 3.86 · 3.86 (24.9°C)
생물학적 소스: synthetic
수용성: 불용성
BRN: 125359 · 125359
Henry's Law Constant: 2.6 · 2.6×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N
SMILES: Clc1ccc2c(Cl)ccnc2c1
LogP: 3.193 at · 3.193 at 25℃
NIST: 4 · Quinoline, 4,7-dichloro-(86-98-6)
EPA: 4 · 4,7-Dichloroquinoline (86-98-6)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (91.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (20.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (83.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (14.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Quinoline, 4,7-dichloro-

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21034；Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22661

Hazards SummarySubcutaneous LDLo (mouse) = 80 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (91.2%)；Skin Sens. 1B (20.6%)；Eye Irrit. 2 (83.8%)；STOT SE 3 (66.2%)；Aquatic Chronic 2 (14.7%)

규제 정보

Regulatory Information · 2건

Chemical: Quinoline, 4,7-dichloro-

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21034；Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22661

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VB4200000
HS 번호: 29334910
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-22
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationQuinoline, 4,7-dichloro-: ACTIVE

응용 분야 · 2건

용도4,7-Dichloroquinoline is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti -microbial agents showing efficacy against common bacterial strains. Chloroquinoline impurity.

일반 설명Chloroquine Related Compound A is an impurity of chloroquine, which is a 9-aminoquinoline drug that effectively inhibits viral infections in humans.