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
- 형식 전하
- 0
- 복잡도
- 157
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]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
山东优阜药业科技有限公司536-8266195 +8613953676784 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
관련 반응
11건
화합물 노트
불러오는 중…