8-브로모-3-메톡시이소퀴놀린

8-Bromo-3-methoxyisoquinoline

HCID 52270657

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 608515-50-0
표준 SMILES: COc1cc2cccc(Br)c2cn1
InChIKey: PKOWJHRDTZPIHB-UHFFFAOYSA-N
분자식: C10H8BrNO
평균 분자량: 238.08 g/mol
단동위원소 질량: 236.97893

이름 및 식별자

우선 이름: 8-Bromo-3-methoxyisoquinoline
IUPAC: 8-bromo-3-methoxyisoquinoline
현지명: 8-브로모-3-메톡시이소퀴놀린
영어명: 8-broMo-3-Methoxyisoquinoline
분자식: C10H8BrNO
분자량: 238.08

이름 및 동의어

8-Bromo-3-methoxyisoquinoline608515-50-0DTXSID20680469RefChem:106957DTXCID60631218663-772-3SCHEMBL5657797MFCD166522698-Bromo-3-methoxyisoquinoline, >=90%FT-0705879DA-04452SY471446

이름 더 보기

8-브로모-3-메톡시이소퀴놀린Isoquinoline, 8-bromo-3-methoxy-8-Bromo-3-methoxyisoquinoline >=90%

H83688

데이터베이스 식별자

CAS: 608515-50-0
PubChem CID: 52270657
DTXSID: DTXSID20680469
EC Number: 663-772-3

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 61 · 61-67°C
물리적 상태: solid
InChI: 1S/C10H8BrNO/c1-13-10-5-7-3-2-4-9(11)8(7)6-12-10/h2-6H,1H3
InChIKey: PKOWJHRDTZPIHB-UHFFFAOYSA-N
SMILES: COc1cc2cccc(Br)c2cn1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, 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 39 reports by companies from 2 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 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사6 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

화합물 노트

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