4-(4-methoxyphenyl)-1H-pyrazole

HCID 3596751

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 111016-45-6
표준 SMILES: COc1ccc(-c2cn[nH]c2)cc1
InChIKey: ULHLFXBETPFBLH-UHFFFAOYSA-N
분자식: C10H10N2O
평균 분자량: 174.2 g/mol
단동위원소 질량: 174.07931295

이름 및 식별자

우선 이름: 4-(4-methoxyphenyl)-1H-pyrazole
IUPAC: 4-(4-methoxyphenyl)-1H-pyrazole
영어명: 4-(4-Methoxyphenyl)-1H-pyrazole
분자식: C10H10N2O
분자량: 174.2

이름 및 동의어

4-(4-methoxyphenyl)-1H-pyrazole111016-45-6RefChem:514319845-588-7MFCD03646977SCHEMBL1186757SCHEMBL5386107ULHLFXBETPFBLH-UHFFFAOYSA-NLEA01645AKOS006278377AB15671BS-26467

이름 더 보기

1H-Pyrazole, 4-(4-methoxyphenyl)-

DA-15515G24162EN300-1723690F955552Z1198162998

데이터베이스 식별자

CAS: 111016-45-6
PubChem CID: 3596751
EC Number: 845-588-7
Nikkaji: J854.802A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 211 · 211-213 °C
끓는 점: 374.7 · 374.7±35.0 °C(Predicted)
밀도: 1.159 · 1.159±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 14.45 · 14.45±0.50(Predicted)
물리적 상태: solid
InChI: 1S/C10H10N2O/c1-13-10-4-2-8(3-5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKey: ULHLFXBETPFBLH-UHFFFAOYSA-N
SMILES: COC1=CC=C(C=C1)C2=CNN=C2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2933199090
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사9 곳

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

湖北扬信医药科技有限公司15347293736 · [email protected]

苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

화합물 노트

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