3,5-디메틸-4-니트로-1H-피라졸

3,5-Dimethyl-4-nitropyrazole

HCID 146172CAS 14531-55-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1n[nH]c(C)c1[N+](=O)[O-]
InChIKey: OFQCJVVJRNPSET-UHFFFAOYSA-N
분자식: C5H7N3O2
평균 분자량: 141.13 g/mol
단동위원소 질량: 141.05382646

개요

structure in first source

이름 및 식별자

우선 이름: 3,5-Dimethyl-4-nitropyrazole
IUPAC: 3,5-dimethyl-4-nitro-1H-pyrazole
현지명: 3,5-디메틸-4-니트로-1H-피라졸
영어명: 3,5-Dimethyl-4-nitro-1H-pyrazole
분자식: C5H7N3O2
분자량: 141.13

이름 및 동의어

14531-55-63,5-Dimethyl-4-nitropyrazolePyrazole, 3,5-dimethyl-4-nitro-DTXSID50162980RefChem:91590DTXCID30854713,5-Dimethyl-4-nitro-1H-pyrazole1H-Pyrazole, 3,5-dimethyl-4-nitro-MFCD00052513BRN 01254745-23-05-00160 (Beilstein Handbook Reference)STK261358

이름 더 보기

3,5-디메틸-4-니트로-1H-피라졸AKOS 90439AKOS B001468ART-CHEM-BB B001468TIMTEC-BB SBB0092173,5-DiMethyl-4-nitro3,5-Dimethyl-4-nitropyrazole>3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE1H-Pyrazole,3,5-dimethyl-4-nitro-(9CI)

AKOS0002800393,5-Dimethyl-4-nitro-1H-pyrazole #D4425EN300-1700012B-076Z568557704-nitro-3,5-dimethyl-1H-pyrazole4-nitro-3,5-dimethyl-pyrazole

데이터베이스 식별자

CAS: 14531-55-6
PubChem CID: 146172
DTXSID: DTXSID50162980
EC Number: 634-307-1
Nikkaji: J461.865C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 74.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 125 to · 125.0 to 129.0 °C
끓는 점: 325 °C · 325°C(lit.)
밀도: 1.339 · 1.339±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 10.75 · 10.75±0.50(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C5H7N3O2/c1-3-5(8(9)10)4(2)7-6-3/h1-2H3,(H,6,7)
InChIKey: OFQCJVVJRNPSET-UHFFFAOYSA-N
SMILES: N1C(C)=C([N+]([O-])=O)C(C)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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 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 (95.5%)

안전 데이터

rtecs: UQ6585000
HS 번호: 2933199090
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도As Pyrazoles compound, 3,5-Dimethyl-4-nitro-1H-pyrazole has the key structures in numerous compounds of therapeutic importance. Compounds containing this ring system are known to display diverse pharmacological activities, for example as antimalarial agents , anti-inflammatory agents, and against cardiovascular disease.[1]

상·하류 제품 정보

상류 원료

1H-피라졸,3,5-디메틸-1-니트로-(9CI)1H-Pyrazole, 3,5-dimethyl-4-[2-(4-methylphenyl)diazenyl]-헥사플루오로벤젠 3,5-dimethyl-4-nitroso-1H-pyrazole 1-니트로구아닐-3,5-디메틸피라졸 1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole 3,5-디메틸-4-니트로이속사졸 2,3,4-Pentanetrione, 3-oxime (6CI,7CI,8CI,9CI)3,5-디메틸-4-요오도피라졸 2,4-펜탄디온 3,5-디메틸피라졸

하류 제품

4-아미노-3,5-디메틸-피라졸 1-Difluoromethyl-3,5-dimethyl-4-nitro-1H-pyrazole (3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-METHANOL 1-벤질-3,5-디메틸-피라졸-4-아민

공급사50 곳

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上海腾准生物科技有限公司19821570922 · [email protected]

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