4-Chloro-6-methylquinoline

HCID 824624CAS 18436-71-0

기본 정보

표준 SMILES: Cc1ccc2nccc(Cl)c2c1
InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N
분자식: C10H8ClN
평균 분자량: 177.63 g/mol
단동위원소 질량: 177.034527

이름 및 식별자

우선 이름: 4-Chloro-6-methylquinoline
IUPAC: 4-chloro-6-methylquinoline
영어명: 4-Chloro-6-methylquinoline
분자식: C10H8ClN
분자량: 177.63

이름 및 동의어

4-chloro-6-methylquinoline18436-71-0DTXSID40356457RefChem:98497DTXCID50307516803-344-74-Chloro-6-methyl-quinolineQuinoline, 4-chloro-6-methyl-MFCD02684204SCHEMBL4758609SCHEMBL7499815SCHEMBL27590619

이름 더 보기

4-Chloro-6-methylquinoline >4-chloro-6-methylquinoline - [C71820]4-Chloro-6-methylquinoline ISO 9001：2015 REACH

HZWWPOQFLMUYOX-UHFFFAOYSA-NSTL137805AKOS002683714AB12588AC-70944-Chloro-6-methylquinoline, AldrichCPRAS-58836SY051237

데이터베이스 식별자

CAS: 18436-71-0
PubChem CID: 824624
DTXSID: DTXSID40356457
EC Number: 803-344-7

물성

구조 계산 물성

XLogP: 3.2
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: 160

물리화학적 성질

녹는점: 51 to · 51.0 to 55.0 °C
끓는 점: 140 °C/10mmHg · 140°C/10mmHg(lit.)
밀도: 1.225 · 1.225±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 3.79 · 3.79±0.16(Predicted)
색상: Light orange to Yellow to Green
InChI: InChI=1S/C10H8ClN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C)=CC=2)C(Cl)=CC=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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. 4 (95%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (95%)；STOT SE 3 (97.5%)

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-6-methylquinoline is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.