Basic information
- CAS
58419-69-5- Standard SMILES
BrCc1ccc(-n2cncn2)cc1- InChIKey
NOUAEJFAVOHNSY-UHFFFAOYSA-N- Molecular formula
- C9H8BrN3
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.99015936
Names & identifiers
- Preferred name
- 1-(4-(bromomethyl)phenyl)-1H-1,2,4-triazole
- IUPAC
- 1-[4-(bromomethyl)phenyl]-1,2,4-triazole
- English name
- 1-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE 0.5 HYDROBROMIDE
- Molecular formula
- C9H8BrN3
- Molecular weight
- 238.08
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
58419-69-5- PubChem CID
- 2776489
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 280 °C · 280 °C
- Boiling point
- 366.2 · 366.2±44.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.26 · 2.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Hazard Note
- Corrosive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers32 total
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]
Related reactions
11 records
Compound notes
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