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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 14306생성일: 2026년 10월 27일

3-Methylisoquinoline

3-METHYLISOQUINOLINE · 3-methyl-isoquinolin · ISOQUINOLINE, 3-METHYL- · 3-(Bromomethyl)isoquinoline · 3-Methylisoquinoline in isooctane · 3-METHYLISOQUINOLINE ISO 9001：2015 REACH

https://huagongshe.com/ko/chemical/14306

3-Methylisoquinoline 분자 구조식

식별자 및 물리적 특성

CAS No.1125-80-0
분자식C10H9N
평균 분자량143.18 g/mol
단동위원소 질량143.07349929 g/mol
SMILESCc1cc2ccccc2cn1
InChIKeyFVVXWRGARUACNW-UHFFFAOYSA-N
PubChem CID14306
ChEMBLCHEMBL191667
ChEBICHEBI:181429
EC No.214-412-5
DTXSIDDTXSID2075180

화학 및 물리적 성질

XLogP2.7
극성 표면적12.9
수소 결합 공여자 수0
수소 결합 수용자 수1
회전 가능 결합 수0
무거운 원자 수11
형식 전하0
복잡도133
증기압0.00952 [mmHg]
Kovats Retention Index13221313
녹는점63-65 °C(lit.)
끓는 점251 °C(lit.)
밀도1.0584 (estimate)
굴절률1.6152 (estimate)
pKa(산도 계수)5.66±0.30(Predicted)
용해도919mg/L(20℃)
InChI1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKeyFVVXWRGARUACNW-UHFFFAOYSA-N
SMILESCc1cc2ccccc2cn1
NISTIsoquinoline, 3-methyl-(1125-80-0)
EPAIsoquinoline, 3-methyl- (1125-80-0)

안전 및 규제

GHS 분류WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 52 reports by companies from 5 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 요약An irritant[Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
수질 위해 등급(WGK)3
RTECS 번호NX2000000
관세 코드29334900
위험 문구(R)36/37/38
위험 표시Xi
안전 문구(S)26-37/39
위험 등급Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류11 - Combustible Solids

용도

개요

The metabolites of 3-methylisoquinoline were separated by adsorption and reversed-phase high-performance liquid chromatography (HPLC).

용도

3-Methylisoquinoline was used to prepare 3-aminoisoquinoline.