기본 정보
- CAS
38150-27-5- 표준 SMILES
Cc1nnc(CO)n1-c1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
UZEKJKOIIZBJFR-UHFFFAOYSA-N- 분자식
- C17H14ClN3O2
- 평균 분자량
- 327.8 g/mol
- 단동위원소 질량
- 327.0774544
개요
not a hemoglobin; alprazolam metabolite; structure in first source
이름 및 식별자
- 우선 이름
- (5-Chloro-2-(3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl)phenyl)phenylmethanone
- IUPAC
- [5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
- 영어명
- 5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenone
- 분자식
- C17H14ClN3O2
- 분자량
- 327.77
이름 및 동의어
38150-27-5HB-Compound2-[3-(HYDROXYMETHYL)-5-METHYL-4-TRIAZOLYL]-5-CHLOROBENZOPHENONEL5ZA828Y3IDTXSID60191544[5-Chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl]phenylmethanone2-(3-(hydroxymethyl)-5-methyl-4-triazolyl)-5-chlorobenzophenoneMethanone, (5-chloro-2-(3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl)phenyl)phenyl-Methanone, [5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl]phenyl-(5-CHLORO-2-(3-(HYDROXYMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)PHENYL)PHENYLMETHANONERefChem:403919DTXCID00114035
이름 더 보기
Alprazolam Imputity 11Alprazolam EP Impurity BAlprazolam Impurity 2（Alprazolam EP Impurity B）5-CHLOOR-2-[3-(HYDROXYMETHYL)-5-METHYL-4H-1,2,4-TRIAZOOL-4-YL]BENZOFENON[5-Chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl]phenyl ketone
3-methyl-4-(2-benzoyl-4-chlorophenyl)-5-hydroxymethyl-1,2,4-triazine253-805-65-CHLORO-2-[3-(HYDROXYMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL]BENZOPHENONE5-Chloro-2-(3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone[5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanoneEINECS 253-805-6(5-chloro-2-(3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl)phenyl)(phenyl)methanone{5-Chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl}(phenyl)methanone
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 68 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 417
물리화학적 성질
- 녹는점
- 118 · 118-120°C
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Regulatory InformationREACH registered substance: 5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenone (EC: 253-805-6)
Hazard Classes and CategoriesNot Classified
화학 및 산업
상·하류 제품 정보
상류 원료
공급사34 곳
济南百隆化学有限公司[email protected] · [email protected]
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