Basic information
- CAS
947248-68-2- Standard SMILES
Nc1nc2ccc(Br)cn2n1- InChIKey
XHBQNLHFUPSZNL-UHFFFAOYSA-N- Molecular formula
- C6H5BrN4
- Average molar mass
- 213.03 g/mol
- Monoisotopic mass
- 211.96976
Names & identifiers
- Preferred name
- 6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
- IUPAC
- 6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
- English name
- 6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
- Molecular formula
- C6H5BrN4
- Molecular weight
- 213.03
Names & synonyms
6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine6-bromo-(1,2,4)triazolo(1,5-a)pyridin-2-amineRefChem:540479854-073-6947248-68-26-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-amine2-AMINO-6-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINEMFCD116566196-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamineSCHEMBL43051AKOS015834699CS-W008421
Show more names
[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 6-bromo-6-BR0M0- [1,2, 4]TRIAZ0L0[l,5- A]PYRIDIN-2-AMINE6-bromo- [1,2,4] triazole [1,5-A] pyridine-2-amine6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine ISO 9001：2015 REACH
FS-2992PB26677SY017073EN300-984456-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine, AldrichCPRAM807460FT-06899906-bromo-1H-4lambda~5
Database identifiers
- CAS
947248-68-2- PubChem CID
- 25215940
- DTXSID
DTXSID80649138
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 56.2 Ų
- 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,Sealed in dry,Room Temperature
- form
- solid
- pka
- 4 · 4.00±0.30(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H5BrN4/c7-4-1-2-5-9-6(8)10-11(5)3-4/h1-3H,(H2,8,10)
- InChIKey
- XHBQNLHFUPSZNL-UHFFFAOYSA-N
- SMILES
- C12=NC(N)=NN1C=C(Br)C=C2
- CAS DataBase Reference
- 947248 · 947248-68-2
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- hs_code
- 2921511990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
15 records
Compound notes
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