3-Methylisoquinoline (HCID 14306)

이름 및 식별자

우선 이름: 3-Methylisoquinoline
IUPAC: 3-methylisoquinoline
영어명: 3-Methylisoquinoline
분자식: C10H9N
분자량: 143.19

이름 및 동의어

3-MethylisoquinolineIsoquinoline, 3-methyl-NSC 475UNII-4QUO6NYB5J4QUO6NYB5JNSC 4619EINECS 214-412-5BRN 0110357AI3-61888NSC-475NSC-4619METHYLISOQUINOLINE, 3-

이름 더 보기

3-methyl-isoquinolin3-(Bromomethyl)isoquinoline3-Methylisoquinoline in isooctane3-METHYLISOQUINOLINE ISO 9001：2015 REACH

DTXSID20751805-20-07-00410 (Beilstein Handbook Reference)Isoquinoline, 3methylRefChem:94922DTXCID6033297214-412-5FVVXWRGARUACNW-UHFFFAOYSA-NInChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H

데이터베이스 식별자

CAS: 1125-80-0
PubChem CID: 14306
DTXSID: DTXSID2075180
ChEMBL: CHEMBL191667
ChEBI: CHEBI:181429
UNII: 4QUO6NYB5J
EC Number: 214-412-5
Nikkaji: J43.385C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

Vapor Pressure0.00952 [mmHg]

Kovats Retention Index1322；1313

물리화학적 성질

녹는점: 63 · 63-65 °C(lit.)
끓는 점: 251 °C · 251 °C(lit.)
밀도: 1.0584 · 1.0584 (estimate)
굴절률: 1.6152 · 1.6152 (estimate)
산도 계수 (pKa): 5.66 · 5.66±0.30(Predicted)
수용성: 919 mg/L · 919mg/L(20℃)
InChI: 1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKey: FVVXWRGARUACNW-UHFFFAOYSA-N
SMILES: Cc1cc2ccccc2cn1
NIST: 3 · Isoquinoline, 3-methyl-(1125-80-0)
EPA: 3 · Isoquinoline, 3-methyl- (1125-80-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (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 exposure; Respiratory 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 정보

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
rtecs: NX2000000
HS 번호: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

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

용도3-Methylisoquinoline was used to prepare 3-aminoisoquinoline.

상·하류 제품 정보

상류 원료

하류 제품

3-(브로모메틸)이소퀴놀린

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

불러오는 중…

3-Methylisoquinoline

기본 정보