Basic information
- CAS
39856-58-1- Standard SMILES
Nc1cccnc1Br- InChIKey
HKDVVTLISGIPFE-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 3-Amino-2-bromopyridine
- IUPAC
- 2-bromopyridin-3-amine
- English name
- 3-Amino-2-bromopyridine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
3-Amino-2-bromopyridine39856-58-1DTXSID30349070RefChem:497003DTXCID90300142626-782-92-bromopyridin-3-amine2-Bromo-3-pyridinamine2-bromo-3-aminopyridine3-pyridinamine, 2-bromo-MFCD002340642-BROMO-3-PYRIDINEAMINE
Show more names
TIMTEC-BB SBB0055393-Amino-2-bromopyrid2-BROMO-PYRIDINEAMINE2-BROMOPYRIDINE-3-AMINE
3-Amino-2-bromopyridine, 97%EN300-109181CS-D0804RB1053HY-660513-amino-2-bromo-pyridineBCP272772-Bromopyridin-3-ylamine
Database identifiers
- CAS
39856-58-1- PubChem CID
- 642816
- DTXSID
DTXSID30349070- EC Number
- 626-782-9
- Nikkaji
- J1.145.060A
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
- 76 · 76-80 °C
- Boiling point
- 292.5 · 292.5±20.0 °C(Predicted)
- Density
- 1.71 · 1.710±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Powder
- pka
- 1.72 · 1.72±0.10(Predicted)
- color
- Beige to dark brown
- Water Solubility
- Slightly soluble in water.
- BRN
- 109830 · 109830
- InChI
- 1S/C5H5BrN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
- InChIKey
- HKDVVTLISGIPFE-UHFFFAOYSA-N
- SMILES
- Nc1cccnc1Br
- CAS DataBase Reference
- 39856 · 39856-58-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38
- Safety Statements
- 26 · 26-36/39-37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (87.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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. 3 (87.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333990
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 26-36/39-37/39
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
UsesUsed in a palladium-catalyzed synthesis of indole systems containing fused medium- and large-ring heterocycles. pyrrole derivatives ahs been prepared using 3-Amino-2-bromopyridine. Used in P-C coupling reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
20 records
Compound notes
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