8-Bromo-(1,2,4)triazolo(1,5-a)pyridin-2-amine

HCID 46864069CAS 1124382-72-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc2c(Br)cccn2n1
InChIKey: SUFKKFLJJMKVJJ-UHFFFAOYSA-N
Molecular formula: C6H5BrN4
Average molar mass: 213.03 g/mol
Monoisotopic mass: 211.96976

Names & identifiers

Preferred name: 8-Bromo-(1,2,4)triazolo(1,5-a)pyridin-2-amine
IUPAC: 8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
English name: 8-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
Molecular formula: C6H5BrN4
Molecular weight: 213.03

Names & synonyms

8-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine8-Bromo-(1,2,4)triazolo(1,5-a)pyridin-2-amineRefChem:547661964-795-41124382-72-42-Amino-8-broMo[1,2,4]triazolo[1,5-a]pyridine8-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YLAMINEMFCD166589392-Amino-8-bromo-[1,2,4]triazolo[1,5-a]pyridine8-bromo[1,2,4]triazolo[1,5-a]pyridin-2-amine8-Bromo-[1,2,4]-triazolo[1,5-a]pyridin-2-amineSCHEMBL1810011

Show more names

106347EOS-61162[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 8-bromo-8-bromo - [1,2,4] thiazolo [1,5-a] pyridine-2-amine

DTXSID00676926SUFKKFLJJMKVJJ-UHFFFAOYSA-NZUB38272AKOS015917771CS-W008562PB27018AC-26783DS-12050

Database identifiers

CAS: 1124382-72-4
PubChem CID: 46864069
DTXSID: DTXSID00676926
EC Number: 964-795-4

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 154

Physicochemical properties

Density: 2.09 · 2.09
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 3.83 · 3.83±0.30(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C6H5BrN4/c7-4-2-1-3-11-5(4)9-6(8)10-11/h1-3H,(H2,8,10)
InChIKey: SUFKKFLJJMKVJJ-UHFFFAOYSA-N
SMILES: C12=NC(N)=NN1C=CC=C2Br
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303
Precautionary statements: 312 · P312
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H303
Precautionary statements: P312

Chemistry & industry

Applications

Uses8-Bromo-[1,2,4]thiazo[1,5-a]pyridine-2-amine is a pyridine derivative that can be used as a pharmaceutical synthesis intermediate for pharmaceutical synthesis and experimental research.