4-클로로-8-메톡시-2-메틸퀴놀린

4-Chloro-8-methoxy-2-methylquinoline

HCID 807583CAS 64951-58-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc2c(Cl)cc(C)nc12
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
분자식: C11H10ClNO
평균 분자량: 207.65 g/mol
단동위원소 질량: 207.0450916

이름 및 식별자

우선 이름: 4-Chloro-8-methoxy-2-methylquinoline
IUPAC: 4-chloro-8-methoxy-2-methylquinoline
현지명: 4-클로로-8-메톡시-2-메틸퀴놀린
영어명: 4-CHLORO-8-METHOXY-2-METHYLQUINOLINE
분자식: C11H10ClNO
분자량: 207.66

이름 및 동의어

4-Chloro-8-methoxy-2-methylquinoline64951-58-2DTXSID40355586RefChem:291949DTXCID10306646676-787-5MFCD002724014-Chloro-8-methoxy-2-methyl-quinoline4-Chloro-8-methoxyquinaldineCBMicro_008398SCHEMBL316994SCHEMBL29393886

이름 더 보기

4-클로로-8-메톡시-2-메틸퀴놀린4-chloro-8-Methoxxyquinaldine8-Methoxy-4-chloro-2-Methyl quinoline2-methyl-4-chloro-8-methoxy quinolineQuinoline, 4-chloro-8-methoxy-2-methyl-4-Chloro-8-methoxy-2-methylquinoline 97%4-chloro-8-methoxy-2-methylquinoline - [C87161]

WLZ4017RHSCPZBPNUZBOA-UHFFFAOYSA-NSMSF0009987SBB0792484-chloro-2-methyl-8-methoxyquinolineAKOS000507495CB11345FC28940

데이터베이스 식별자

CAS: 64951-58-2
PubChem CID: 807583
DTXSID: DTXSID40355586
EC Number: 676-787-5

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 80 · 80-85 °C
끓는 점: 308.8 · 308.8±37.0 °C(Predicted)
밀도: 1.228 · 1.228±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.67 · 2.67±0.50(Predicted)
물리적 상태: solid
InChI: InChI=1S/C11H10ClNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2OC)C(Cl)=CC=1C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 3 (90.9%)；Eye Dam. 1 (90.9%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933499090
risk_code: 25-41
hazard_code: Xi,T
safety_code: 26-39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4-CHLORO-8-METHOXY-2-METHYLQUINOLINE is an organic chemical and pharmaceutical intermediate, its chloro group on quinoline core make it uesful for synthesizing functional materials and bioactive molecules.