1-에틸-3-메틸-1H-피라졸-5-카르복실산

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

HCID 2743794

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50920-65-5
표준 SMILES: CCn1nc(C)cc1C(=O)O
InChIKey: VFMGOJUUTAPPDA-UHFFFAOYSA-N
분자식: C7H10N2O2
평균 분자량: 154.17 g/mol
단동위원소 질량: 154.07422756

이름 및 식별자

우선 이름: 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 2-ethyl-5-methylpyrazole-3-carboxylic acid
현지명: 1-에틸-3-메틸-1H-피라졸-5-카르복실산
영어명: 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
분자식: C7H10N2O2
분자량: 154.17

이름 및 동의어

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid50920-65-5DTXSID90372501RefChem:230299DTXCID90323533624-744-62-ethyl-5-methylpyrazole-3-carboxylic acid1-Ethyl-3-methylpyrazole-5-carboxylic acidMFCD001561471H-Pyrazole-5-carboxylic acid, 1-ethyl-3-methyl-2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid2-Ethyl-5-methyl-pyrazole-3-carboxylic acid

이름 더 보기

1-에틸-3-메틸-1H-피라졸-5-카르복실산AKOS PAO-0004BUTTPARK 37\06-99TIMTEC-BB SBB0054364,4''-dimethyl-2,2''-dipyridyl4,4''-dimethyl-2,2''-dipyridylEthylmethylpyrazolecarboxylicacid1-Ethyl-3-methylpyrazole-5-carboxylic2-ethyl-5-methyl-3-pyrazolecarboxylate2-ethyl-5-methylpyrazole-3-carboxylicaci

SPB 01840STK346771FS-1496CS-0040900E12281-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%Maybridge1_008579AMY12288

데이터베이스 식별자

CAS: 50920-65-5
PubChem CID: 2743794
DTXSID: DTXSID90372501
EC Number: 624-744-6

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 130 °C · 130 °C
끓는 점: 308.5 · 308.5±22.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.27 · 3.27±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C7H10N2O2/c1-3-9-6(7(10)11)4-5(2)8-9/h4H,3H2,1-2H3,(H,10,11)
InChIKey: VFMGOJUUTAPPDA-UHFFFAOYSA-N
SMILES: N1(CC)C(C(O)=O)=CC(C)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

안전 데이터

wgk: 3
rtecs: UQ6407500
HS 번호: 2933199090
risk_code: 22
hazard_code: Xn
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic Acid is a reagent used in the synthesis of new class of 2-phenylhydrazinylidene derivatives as antivirulence agents that inhibits staphylococcus aureus biofilm formation.