5-Nitroindazole (HCID 21501)

이름 및 식별자

우선 이름: 5-Nitroindazole
IUPAC: 5-nitro-1H-indazole
현지명: 5-나이트로인다졸
영어명: 5-Nitroindazole
분자식: C7H5N3O2
분자량: 163.13

이름 및 동의어

5-Nitroindazole5-Nitro-1H-indazole5401-94-51H-INDAZOLE, 5-NITRO-DTXSID5049316235Y7P37ZDNSC-5032DTXCID4029272RefChem:103267226-451-55-nitro-1H-indazol5-nitro-2H-indazole

이름 더 보기

5-나이트로인다졸5-나이트로인다졸(5-NITROINDAZOLE)5-니트로인다졸3-(METHYLAMINO)-1-PHENYLPROPAN-1-OLN-METHYL-3-HYDROXY-3-PHENYL PROPYLAMINE3-METHYLAMINO-1-PHENYLPROPANOL5-Nitroindazol5-Nitroindazoles5-Nitroindazole>1H-Indazole,5-nitro-

MFCD000056935-nitro-indazoleCHEMBL1653725-NITRO-1H-BENZOPYRAZOLE65750-01-85NICCRIS 4134NSC 5032

데이터베이스 식별자

CAS: 5401-94-5
PubChem CID: 21501
DTXSID: DTXSID5049316
ChEMBL: CHEMBL165372
UNII: 235Y7P37ZD
EC Number: 226-451-5
Nikkaji: J2.232B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 74.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 192

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Solubility14.2 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.0000128 [mmHg]

Physical DescriptionYellow odorless powder; [Eastman Kodak MSDS]

물리화학적 성질

녹는점: 207 °C · 207 °C
끓는 점: 383.3 · 383.3±15.0 °C(Predicted)
밀도: 1.525 · 1.525±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 11.71 · 11.71±0.40(Predicted)
물리적 상태: powder to crystal
색상: White to Light red to Green
BRN: 7936 · 7936
InChI: InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChIKey: WSGURAYTCUVDQL-UHFFFAOYSA-N
SMILES: N1C2=C(C=C([N+]([O-])=O)C=C2)C=N1
EPA: 5 · 5-Nitroindazole (5401-94-5)

화학적 성질

light yellow crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Warning

H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1H-Indazole, 5-nitro-

1H-Indazole, 5-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause transient irritation; NOAEL for 12-day oral study of rats = 81 mg/kg/day; [Eastman Kodak MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (88%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: NK7962000
HS 번호: 29339990
risk_code: 22-36/37/38-68-36-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/37/39
기존화학 물질: KE-26003
위험 참고 사항: Irritant

화학 및 산업

용도 및 제조

UsesPossesses antifungal activity; [REPROTOX]

General Manufacturing Information1H-Indazole, 5-nitro-: ACTIVE

응용 분야

용도5-Nitroindazole inhibits citrulline formation by Ca2+-calmodulin (CaM)-dependent nitric oxide synthase from bovine brain. Nitration of 5-nitroindazole with nitric acid and acetic anhydride yields 3,5-dintroindazole and 2,5-dinitroindazole.

상·하류 제품 정보

상류 원료

하류 제품

1H-인다졸-5-올 1-BOC-5-아미노-인다졸 1-메틸-1H-인다졸-5-아민 5-아미노-3-페닐-1H-인다졸 5-요오도-1H-인다졸 (5-니트로인다졸-1-일)-(3,4,5-트리메톡시페닐)메타논 1-(Piperidin-4-yl)-1H-indazol-5-aMine

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

山东轩德医药科技有限公司18866891188 · [email protected]

연결된 노트

불러오는 중…

5-나이트로인다졸

기본 정보