Basic information
- CAS
13534-99-1- Standard SMILES
Nc1ncccc1Br- InChIKey
RBCARPJOEUEZLS-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 2-Amino-3-bromopyridine
- IUPAC
- 3-bromopyridin-2-amine
- English name
- 3-Bromo-2-pyridinamine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
2-Amino-3-bromopyridine13534-99-13-bromopyridin-2-amineDTXSID00355840RefChem:463855DTXCID20306899629-620-53-bromo-2-pyridinamine2-Pyridinamine, 3-bromo-MFCD030951873-bromo-2-pyridylamine3-BROMO-PYRIDIN-2-YLAMINE
Show more names
IFLAB-BB F1371-0194TIMTEC-BB SBB0055383-Bromo-2-pyridimine2-Amino-3-bromopyridine,98%
3-bromo-2-aminopyridineOlprinone Impurity 223-Bromopyridine-2-aminebromo-aminopyridinebromopyridin-2-amine2-Pyridinamine,3-bromo-2-amino-3-bromo-pyridine3-bromo-2-amino pyridine
Database identifiers
- CAS
13534-99-1- PubChem CID
- 817700
- DTXSID
DTXSID00355840- EC Number
- 629-620-5
- Nikkaji
- J81.638H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 63 · 63-67 °C
- Boiling point
- 232 · 232.0±20.0 °C(Predicted)
- Density
- 1.6065 · 1.6065 (rough estimate)
- vapor pressure
- 0.83 · 0.83-1.8Pa at 20-25℃
- refractive index
- 1.5182 · 1.5182 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Powder
- pka
- 4.14 · 4.14±0.36(Predicted)
- color
- Gray to brown
- BRN
- 109867 · 109867
- InChI
- InChI=1S/C5H5BrN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
- InChIKey
- RBCARPJOEUEZLS-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC=C1Br
- LogP
- 1.5 at · 1.5 at 20℃ and pH7
- CAS DataBase Reference
- 13534 · 13534-99-1(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (15.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 18-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27075
Hazard Classes and CategoriesAcute Tox. 4 (15.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses2-Amino-3-bromopyridine may be used to synthesize:2-acylamido-3-bromopyridines2-anilino-3-bromopyridine3-[(2-methoxyphenyl)ethynyl]pyridin-2-amine3-[(4-methoxyphenyl)ethynyl]pyridin-2-amineN-(bromopyridyl)amidinescarbolines via palladium catalyzed arylation followed by palladium catalyzed amination reaction2-amino-3-cyanopyridine via palladium catalyzed cyanation reaction with potassium ferro-cyanide in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene [DBU]nitro-substituted N,N′-dipyridinylamines via palladium catalyzed coupling reaction with 2-chloro-3-nitropyridine in the presence of Xantphos ligand2-amino-3-iodopyridine via reaction with sodium iodide in the presence of copper(I)iodide and trans-N,N′-dimethylcyclohexane-1,2-diamine
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
246 records
Compound notes
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