1-[4-(Bromomethyl)phenyl]-1,2,4-triazole - CAS 58419-69-5

Catalog:	BB030033
Product Name:	1-[4-(Bromomethyl)phenyl]-1,2,4-triazole
CAS:	58419-69-5
Synonyms:	1-[4-(bromomethyl)phenyl]-1,2,4-triazole; 1-[4-(bromomethyl)phenyl]-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
Description:	1-[4-(Bromomethyl)phenyl]-1,2,4-triazole (CAS# 58419-69-5 ) is a useful research chemical.
Molecular Weight:	238.08
Molecular Formula:	C9H8BrN3
Canonical SMILES:	C1=CC(=CC=C1CBr)N2C=NC=N2
InChI:	InChI=1S/C9H8BrN3/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H,5H2
InChI Key:	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Boiling Point:	366.2 °C at 760 mmHg
Density:	1.55 g/cm³
LogP:	3.12030

Publication Number	Title	Priority Date
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019
CN-110869373-A	Antibiotic resistance disruptors	20170530
JP-2020528399-A	Antibiotic resistant breaker	20170530
US-2021261570-A1	Antibiotic resistance breakers	20170530
EP-2731436-A1	Azaindole compounds and methods for treating hiv	20110715

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Related Functional Groups

Triazole/Tetrazole

[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[146-68-9]
Iodonitrotetrazolium chloride

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.99016
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.99016
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2