Basic information
- CAS
38875-53-5- Standard SMILES
Nc1cc(Br)cnc1N- InChIKey
YRGMYJUKFJPNPD-UHFFFAOYSA-N- Molecular formula
- C5H6BrN3
- Average molar mass
- 188.03 g/mol
- Monoisotopic mass
- 186.97450929
Names & identifiers
- Preferred name
- 5-Bromopyridine-2,3-diamine
- IUPAC
- 5-bromopyridine-2,3-diamine
- English name
- 2,3-Diamino-5-bromopyridine
- Molecular formula
- C5H6BrN3
- Molecular weight
- 188.03
Names & synonyms
2,3-Diamino-5-bromopyridine5-Bromopyridine-2,3-diamine5-Bromo-2,3-diaminopyridine5-bromo-2,3-pyridinediamine2,3-Pyridinediamine, 5-bromo-VS8NFO6O1GEINECS 254-172-9DTXSID30192129RefChem:102210DTXCID90114620254-172-9YRGMYJUKFJPNPD-UHFFFAOYSA-N
Show more names
AKOS AUF02002AKOS BBS-00000089IFLAB-BB F2124-0011LABOTEST-BB LT000003605-brompyridin-2,3-diamin5-BROMO-2,3-DIAMINOPYDINE5-BROMO-2,3-DIAMINEPYRIDINE
38875-53-5MFCD004600942,3-Diamino-5-bromopyridine, 97%BBL013028AKOS0002679952-AMINO-5-BROMO-3-PYRIDYLAMINEEN300-07258BR9
Database identifiers
- CAS
38875-53-5- PubChem CID
- 691156
- DTXSID
DTXSID30192129- ChEMBL
CHEMBL4060760- UNII
- VS8NFO6O1G
- EC Number
- 254-172-9
- Nikkaji
- J319.857J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.2
Physicochemical properties
- Melting point
- 155 °C · 155 °C (dec.) (lit.)
- Boiling point
- 180 °C · 180 °C(Press: 0.005-0.01 Torr)
- Density
- 1.677 · 1.6770 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 4.53 · 4.53±0.49(Predicted)
- form
- Powder or Needles
- color
- Light yellow to purple or light brown
- Water Solubility
- soluble in hot water
- BRN
- 119436 · 119436
- InChI
- InChI=1S/C5H6BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)
- InChIKey
- YRGMYJUKFJPNPD-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(Br)C=C1N
- CAS DataBase Reference
- 38875 · 38875-53-5(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (10.4%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (10.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36-37/39-45-36/37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Diamino-5-bromopyridine may be used in the preparation of the following heterocyclic compounds:6-bromoimidazo-[b]pyridine11-bromopyrido[2′,3′:5,6]pyrazino[2,3-f][1,10]phenanthroline6-bromo-3-(tetrahydro-2H-pyran-2-yl)-3H-imidazo[4,5-b]pyridine
General Description2,3-Diamino-5-bromopyridine can be prepared from 2-amino-3-nitro-5-bromopyridine via reduction using stannous chloride.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
119 records
Compound notes
Loading…