기본 정보
- CAS
31329-64-3- 표준 SMILES
Cc1noc(C)c1N- InChIKey
INSUSOZBMWJGDG-UHFFFAOYSA-N- 분자식
- C5H8N2O
- 평균 분자량
- 112.13 g/mol
- 단동위원소 질량
- 112.06366288
이름 및 식별자
- 우선 이름
- 4-Amino-3,5-dimethylisoxazole
- IUPAC
- 3,5-dimethyl-1,2-oxazol-4-amine
- 현지명
- 3,5-디메틸-4-이속사졸아민
- 영어명
- 3,5-Dimethyl-4-isoxazolamine
- 분자식
- C5H8N2O
- 분자량
- 112.13
이름 및 동의어
4-Amino-3,5-dimethylisoxazoleRefChem:517736627-979-23,5-Dimethylisoxazol-4-amine31329-64-33,5-Dimethyl-4-isoxazolamine3,5-dimethyl-1,2-oxazol-4-amine4-Isoxazolamine, 3,5-dimethyl-dimethyl-1,2-oxazol-4-amineMFCD026819723,5-dimethyl-isoxazol-4-ylamine3,5-dimethylisoxazole-4-ylamine
이름 더 보기
3,5-디메틸-4-이속사졸아민AKOS B020738TIMTEC-BB SBB005896ART-CHEM-BB B0207383,5-Dimethylisoxazole-4-amine4-AMino-3,5-diMethylisoxazole 97%
3,5-Dimethylisoxazol-4-ylamineSCHEMBL708843,5-dimethyl-4-aminoisoxazolorb3030182SCHEMBL2839440CHEMBL5427481SCHEMBL28241316DTXSID70953372
데이터베이스 식별자
- CAS
31329-64-3- PubChem CID
- 182040
- DTXSID
DTXSID70953372- ChEMBL
CHEMBL5427481- EC Number
- 627-979-2
- Nikkaji
- J88.718H
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 52.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 86.5
실험 및 물리화학적 성질
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
물리화학적 성질
- 녹는점
- 41 · 41-46 °C(lit.)
- 끓는 점
- 78 · 78-80°C 0,4mm
- 밀도
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 1.59 · 1.59±0.10(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C5H8N2O/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3
- InChIKey
- INSUSOZBMWJGDG-UHFFFAOYSA-N
- SMILES
- Cc1noc(C)c1N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 40 reports by companies from 3 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
- 2934999090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-Amino-3,5-dimethylisoxazole may be used in the synthesis of 3,5-dimethyl-4-phenylazoisoxazole via reaction with nitrosobenzene.The diazonium salt of 4-Amino-3,5-dimethylisoxazole can react with cupric sulfate to form acetyltriazole derivatives.
일반 설명4-Amino-3,5-dimethylisoxazole can be prepared via reduction of 3,5-dimethyl-4-nitroisoxazole in the presence of Zn/NH4Cl in H2O.
상·하류 제품 정보
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