1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole

HCID 2776489

기본 정보

CAS
58419-69-5
표준 SMILES
BrCc1ccc(-n2cncn2)cc1
InChIKey
NOUAEJFAVOHNSY-UHFFFAOYSA-N
분자식
C9H8BrN3
평균 분자량
238.08 g/mol
단동위원소 질량
236.99015936

이름 및 식별자

우선 이름
1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole
IUPAC
1-[4-(bromomethyl)phenyl]-1,2,4-triazole
영어명
1-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE 0.5 HYDROBROMIDE
분자식
C9H8BrN3
분자량
238.08

이름 및 동의어

58419-69-51-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole1-[4-(bromomethyl)phenyl]-1,2,4-triazole1-[4-(Bromomethyl)Phenyl]-1H-1,2,4-TriazoleMFCD026819431-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE 0.5 HYDROBROMIDE1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-SCHEMBL676381DTXSID50380122NOUAEJFAVOHNSY-UHFFFAOYSA-NSBB098889AKOS015901995
이름 더 보기
BUTTPARK 95\50-824-(1,2,4-Triazol-1-yl)benzyl broMide1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole 1/2 hydrobromide
DS-14003C757351-[4-(bromomethyl)phenyl]-1H-1,2,4-triazol1-(4-bromomethyl-phenyl)-1H-[1,2,4]-triazole1-[4-(bromo-methyl)phenyl]-1H-1,2,4-triazole1-[4-(bromomethyl)-phenyl]-1h-1,2,4-triazole1-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE;1-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE 0.5 HYDROBROMIDE;BUTTPARK 95\50-82;1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole 1/2 hydrobromide

데이터베이스 식별자

CAS
58419-69-5
PubChem CID
2776489
DTXSID
DTXSID50380122

물성

구조 계산 물성

XLogP
2.2
극성 표면적
30.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
280 °C · 280 °C
끓는 점
366.2 · 366.2±44.0 °C(Predicted)
밀도
1.55 · 1.55±0.1 g/cm3 (20 ºC 760 Torr)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa)
2.26 · 2.26±0.10(Predicted)

안전 및 규제

안전 데이터

hazard_code
C
위험 참고 사항
Corrosive

화학 및 산업

공급사32 곳

广州诚创生物科技有限公司18027266590 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]

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