Basic information
- Standard SMILES
Nc1ccc(Br)cn1- InChIKey
WGOLHUGPTDEKCF-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 2-Amino-5-bromopyridine
- IUPAC
- 5-bromopyridin-2-amine
- English name
- 2-Amino-5-bromopyridine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
2-Amino-5-bromopyridine1072-97-52-Pyridinamine, 5-bromo-D5QE8XW52UDTXSID5022144NSC-26282RefChem:464540DTXCID202144214-019-95-bromopyridin-2-amine5-Bromo-2-aminopyridine5-Bromo-2-pyridinamine
Show more names
5-BROMOPHTHALIDENSC 26282JACS-1072-97-5AKOS BBS-00004444TIMTEC-BB SBB0038232-Amino-5-bromopyrid
5-Bromo-2-pyridylamineMFCD000063235-bromopyridin-2-ylamine2-amino-5-bromo pyridine5-bromo-pyridin-2-ylaminePalbociclib Impurity B5-bromo-2-amino-pyridinePyridine, 2-amino-5-bromo-
Database identifiers
- CAS
1072-97-5- PubChem CID
- 70622
- DTXSID
DTXSID5022144- UNII
- D5QE8XW52U
- EC Number
- 214-019-9
- Nikkaji
- J31.389K
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
- 133 · 133-138 °C (lit.)
- Boiling point
- 230.9 · 230.9±20.0 °C(Predicted)
- Density
- 1.6065 · 1.6065 (rough estimate)
- refractive index
- 1.5182 · 1.5182 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.65 · 4.65±0.13(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- Water Solubility
- Soluble in methanol, chloroform, ethyl acetate. Slightly soluble in water.
- BRN
- 108737 · 108737
- InChI
- InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
- InChIKey
- WGOLHUGPTDEKCF-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(Br)C=C1
- CAS DataBase Reference
- 1072 · 1072-97-5(CAS DataBase Reference)
- FDA UNII
- 5 QE8XW52U · D5QE8XW52U
- EPA Substance Registry System
- 2 · 2-Amino-5-bromopyridine (1072-97-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 2 · 2
- F
- 10 · 10
- HazardClass
- IRRITANT
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (86.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 81 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (86.4%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333999
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- 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-Amino-5-bromopyridine is used for the synthesis of polycyclic azaarenes.
General Description2-Amino-5-bromopyridine is a brominated aromatic amine reagent and is used for labeling of model reducing-end oligosaccharides via reductive amination.
Upstream & downstream products
Upstream raw materials
Downstream products
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