3,5-디메틸-4-니트로이속사졸

3,5-Dimethyl-4-nitroisoxazole

HCID 261410

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1123-49-5
표준 SMILES: Cc1noc(C)c1[N+](=O)[O-]
InChIKey: PMQFLWLYAXYFHG-UHFFFAOYSA-N
분자식: C5H6N2O3
평균 분자량: 142.11 g/mol
단동위원소 질량: 142.03784205

이름 및 식별자

우선 이름: 3,5-Dimethyl-4-nitroisoxazole
IUPAC: 3,5-dimethyl-4-nitro-1,2-oxazole
현지명: 3,5-디메틸-4-니트로이속사졸
영어명: 3,5-Dimethyl-4-nitroisoxazole
분자식: C5H6N2O3
분자량: 142.11

이름 및 동의어

3,5-Dimethyl-4-nitroisoxazole1123-49-5Isoxazole, 3,5-dimethyl-4-nitro-DTXSID70294010RefChem:91589DTXCID30245149626-617-0InChI=1/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2HPMQFLWLYAXYFHG-UHFFFAOYSA-N3,5-dimethyl-4-nitro-1,2-oxazoleMFCD000516563,5-Dimethyl-4-nitro-isoxazole

이름 더 보기

3,5-디메틸-4-니트로이속사졸AKOS B022232-4-nitroisoxazoLART-CHEM-BB B0222325-DIMETHYL-4-NITROISOXAZOLE3,5-Dimethyl-4-nitroisoxazole>Isoxazole, 3,5-dimethyl-4-nitro-3,5-DIMETHYL-4-NITROISOXAZOLE 98%3,5-Dimethyl-4-nitroisoxazole ,98%

4-nitro-3,5-dimethylisoxazoleSCHEMBL1328626Isoxazole,5-dimethyl-4-nitro-AC1721NSC-93420SY033605CS-0085266Q63398662

데이터베이스 식별자

CAS: 1123-49-5
PubChem CID: 261410
DTXSID: DTXSID70294010
ChEMBL: CHEMBL109851
UNII: 9C9M8LYU56
EC Number: 626-617-0
Nikkaji: J46.505D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 71.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 67 · 67-69 °C (lit.)
끓는 점: 241.4 ℃ · 241.4℃
밀도: 1.293 · 1.293
인화점: 99.8 ℃ · 99.8℃
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -3.68 · -3.68±0.28(Predicted)
색상: 흰색에서 밝은 노란색
InChI: 1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3
InChIKey: PMQFLWLYAXYFHG-UHFFFAOYSA-N
SMILES: Cc1noc(C)c1[N+]([O-])=O

화학적 성질

White to off-white solid

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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3,5-Dimethyl-4-nitroisoxazole was used in the synthesis of:series of methylene bis-isoxazolo[4,5-b]azepines, via reaction with methylene bis-chalconesphenylmethylene bis-isoxazolo[4,5-b]azepine derivatives3-arylglutaric acids, bis-isoxazoles and bis-pyrazoles

상·하류 제품 정보

상류 원료

하류 제품

3,5-디메틸-4-니트로-1H-피라졸 5-Isoxazolecarboxaldehyde,3-methyl-4-nitro-(7CI,8CI,9CI)

공급사74 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

불러오는 중…