4-Amino-3,5-dibromopyridine
Basic information
- CAS
84539-34-4- Standard SMILES
Nc1c(Br)cncc1Br- InChIKey
MNRBVTDLMUNVLD-UHFFFAOYSA-N- Molecular formula
- C5H4Br2N2
- Average molar mass
- 251.91 g/mol
- Monoisotopic mass
- 249.87412233
Names & identifiers
- Preferred name
- 4-Amino-3,5-dibromopyridine
- IUPAC
- 3,5-dibromopyridin-4-amine
- English name
- 4-Amino-3,5-dibromopyridine
- Molecular formula
- C5H4Br2N2
- Molecular weight
- 251.91
Names & synonyms
4-amino-3,5-dibromopyridine84539-34-43,5-Dibromo-4-pyridinamine4-Pyridinamine, 3,5-dibromo-3,5-dibromo-4-pyridylamine8SCL7F2FAA3,5-Dibromo-4-aminopyridineDTXSID20347287Pyridin-4-amine, 3,5-dibromo-RefChem:97711DTXCID50298359677-124-2
Show more names
3,5-Dibromo-pyridin-4-ylamineAURORA 15013IFLAB-BB F1371-0141OTAVA-BB BB71109513844-aMino-3,5-dibroMopyridin3,5-dibroMo-4-aMinopyridin
MNRBVTDLMUNVLD-UHFFFAOYSA-N3,5-dibromopyridin-4-amineMFCD002340483,5-Dibromopyridine-4-amine4-Amino-3,5-dibromopyridine, 95%3,5-bis(bromanyl)pyridin-4-amineBCP22875BCP9000150
Database identifiers
- CAS
84539-34-4- PubChem CID
- 619792
- DTXSID
DTXSID20347287- UNII
- 8SCL7F2FAA
- EC Number
- 677-124-2
- Nikkaji
- J1.658.756G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Melting point
- 165 · 165-170 °C
- Boiling point
- 292.9 · 292.9±35.0 °C(Predicted)
- Density
- 2.147 · 2.147
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.96 · 4.96±0.24(Predicted)
- color
- Light yellow to Yellow to Orange
- InChI
- 1S/C5H4Br2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
- InChIKey
- MNRBVTDLMUNVLD-UHFFFAOYSA-N
- SMILES
- Nc1c(Br)cncc1Br
- FDA UNII
- 8 SCL7F2FAA · 8SCL7F2FAA
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
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
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29333990
- risk_code
- 25-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-45
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Uses4-Amino-3,5-dibromopyridine is an important synthetic intermediate of a natural product Desmopyradine, can be converted into another important pyridine intermediate such as 3, 5-dibromopyridine, 3, 5-dibromo-4-iodopyridine and the like, and has important synthetic value.
Preparation methods
PreparationA preparation method of 4-Amino-3,5-dibromopyridine is characterized by comprising the following steps: pyridine or pyridine salt is taken as raw material, ammonium salt and H are added into HBr solution2O2And reacting in one step to obtain the 4-Amino-3,5-dibromopyridine.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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