CAS 1007219-73-9 Methyl 1-methyl-1H-indazole-6-carboxylate (HCID 22598983)

기본 정보

CAS: 1007219-73-9
표준 SMILES: COC(=O)c1ccc2cnn(C)c2c1
InChIKey: RPHJVNKZUSDUDA-UHFFFAOYSA-N
분자식: C10H10N2O2
평균 분자량: 190.2 g/mol
단동위원소 질량: 190.07422756

이름 및 식별자

우선 이름: Methyl 1-methyl-1H-indazole-6-carboxylate
IUPAC: methyl 1-methylindazole-6-carboxylate
현지명: 메틸1-메틸인다졸-6-카르복실레이트
영어명: Methyl 1-methylindazole-6-carboxylate
분자식: C10H10N2O2
분자량: 190.2

이름 및 동의어

1007219-73-9Methyl 1-methyl-1H-indazole-6-carboxylateDTXSID40626763RefChem:353357DTXCID10577516814-500-91-Methyl-1H-indazole-6-carboxylic acid methyl estermethyl 1-methylindazole-6-carboxylateMFCD111094031H-Indazole-6-carboxylic acid, 1-methyl-, methyl esterMethyl 1-methyl-1H-indazole-6-carboxylate, 1007219-73-9, methyl 1-methylindazole-6-carboxylate, 6-(Methoxycarbonyl)-1-methyl-1H-indazole, SureCN4261983, CTK6J0364, ANW-74203, ZINC30678046, AKOS005258490, AG-C-12093, OR30720, PB14894, RP03695, 6-METHOXYCARBONYL-1-METHYLINDAZOLE, AK-79253, AM802826, KB-48658, AB1010337, FT-0685528, Y5138Methyl1-methyl-1H-indazole-6-carboxylate

이름 더 보기

메틸1-메틸인다졸-6-카르복실레이트Methyl 1-Methyl-1H-indazol-6-carboxylate6-(Methoxycarbonyl)-1-methyl-1H-indazoleethyl 2-(1-methyl-1H-indazol-6-yl)acetate1-Methyl-1H-indazol-6-carboxylic acid Methyl ester

SCHEMBL4261983CHEMBL4575142SCHEMBL27177545SCHEMBL29491497RPHJVNKZUSDUDA-UHFFFAOYSA-NAKOS005258490PB14894PS-4762

데이터베이스 식별자

CAS: 1007219-73-9
PubChem CID: 22598983
DTXSID: DTXSID40626763
ChEMBL: CHEMBL4575142
EC Number: 814-500-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 232

물리화학적 성질

밀도: 1.23 · 1.23±0.1 g/cm3 (20 ºC 760 Torr)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
색상: 노란색
InChI: 1S/C10H10N2O2/c1-12-9-5-7(10(13)14-2)3-4-8(9)6-11-12/h3-6H,1-2H3
InChIKey: RPHJVNKZUSDUDA-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc2cnn(C)c2c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933998090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도1-Methyl-1H-indazole-6-carboxylic Acid Methyl Ester is a useful synthetic intermediate. It is an analog of Indazole-3-carboxylic Acid Methyl Ester (I505250) which has potential as application of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase. Indazole-3-carboxylic Acid Methyl Ester (I505250) is also used in the preparation of indazole-pyridine based protain kinase/Akt inhibitors.