6-(1H)인다졸카르복시산메틸에스테르

methyl 1H-indazole-6-carboxylate

HCID 286535CAS 170487-40-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc2cn[nH]c2c1
InChIKey: TUSICEWIXLMXEY-UHFFFAOYSA-N
분자식: C9H8N2O2
평균 분자량: 176.17 g/mol
단동위원소 질량: 176.0585775

이름 및 식별자

우선 이름: methyl 1H-indazole-6-carboxylate
IUPAC: methyl 1H-indazole-6-carboxylate
현지명: 6-(1H)인다졸카르복시산메틸에스테르
영어명: Methyl 1H-indazole-6-carboxylate
분자식: C9H8N2O2
분자량: 176.17

이름 및 동의어

methyl 1h-indazole-6-carboxylate170487-40-8DTXSID20301622RefChem:812814DTXCID70252756681-410-21H-Indazole-6-carboxylic acid methyl esterMethyl indazole-6-carboxylateMFCD073716126-(1H)Indazole carboxylic acid methyl esterIndazole-6-carboxylic acid methyl esterMLS002920644

이름 더 보기

6-(1H)인다졸카르복시산메틸에스테르1H-indazole-6-carboxylateMethyl indazole-6-carboxy...Methyl 1H-indazol-6-carboxylate1H-Indazole-6-carboxylic acid methyl131H-Indazole-6-carboxylic acid methyl ester

1H-Indazole-6-carboxylic acid, methyl esterNSC1449922H-Indazole-6-carboxylic acid methyl estermethyl indazole-6carboxylateSCHEMBL347171methyl1h-indazole-6-carboxylateSCHEMBL21730148SCHEMBL29643878

데이터베이스 식별자

CAS: 170487-40-8
PubChem CID: 286535
DTXSID: DTXSID20301622
EC Number: 681-410-2

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 55 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 208

물리화학적 성질

녹는점: 142 · 142-144℃
끓는 점: 345.2 · 345.2±15.0 °C(Predicted)
밀도: 1.324 · 1.324±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 12.43 · 12.43±0.40(Predicted)
색상: White to Light yellow to Light orange
수용성: 물에 용해됩니다.
InChI: InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7-5-10-11-8(7)4-6/h2-5H,1H3,(H,10,11)
InChIKey: TUSICEWIXLMXEY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(C(OC)=O)=C2)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933998090

화학 및 산업

응용 분야

용도Methyl 1H-indazole-6-carboxylateis used in organic synthesis.

상·하류 제품 정보

상류 원료

하류 제품

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-6-carboxylate 메틸1-메틸인다졸-6-카르복실레이트 tert-부틸6-(히드록시메틸)-1H-인다졸-1-카르복실레이트

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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

上海泰锐尔生物科技有限公司021-54822871 13817743194

上海弘顺生物科技有限公司15901914505 · [email protected]

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