Basic information
- Standard SMILES
Nc1ccc([N+](=O)[O-])cn1- InChIKey
UGSBCCAHDVCHGI-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.0381764
Overview
structure of the dihydrogen phosphate salt in first source
Names & identifiers
- Preferred name
- 2-Amino-5-nitropyridine
- IUPAC
- 5-nitropyridin-2-amine
- English name
- 2-Amino-5-nitropyridine
- Molecular formula
- C5H5N3O2
- Molecular weight
- 139.11
Names & synonyms
2-Amino-5-nitropyridine4214-76-02-Pyridinamine, 5-nitro-DTXSID6063357RefChem:483343DTXCID1040039224-145-65-nitropyridin-2-amine67476-67-95-Nitro-2-aminopyridineMFCD00006325Pyridine, 2-amino-5-nitro-
Show more names
Methyl-4-fluoro-5-nitrobenzoateAKOS 237-42TIMTEC-BB SBB0041785-nitro-2-pyridinamin5-nitropyridine-2-aMine
CHEMBL44474235-nitro-2-pyridylamine5-Nitro-2-pyridinamine2-Amino-5-Nitro Pyridine5-nitro-pyridin-2-ylamine5-Nitropyrimidin-2-ylamineEINECS 224-145-6NSC 23774
Database identifiers
- CAS
4214-76-0- PubChem CID
- 77888
- DTXSID
DTXSID6063357- ChEMBL
CHEMBL4447423- EC Number
- 224-145-6
- Nikkaji
- J29.746A、J794.961H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Vapor Pressure0.00132 [mmHg]
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 186 · 186-188 °C (lit.)
- Boiling point
- 255.04 °C · 255.04°C (rough estimate)
- Density
- 1.4551 · 1.4551 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
- Flash point
- 224 ° · 224°(435°F)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 1.6 g/l · 1.6g/l
- form
- Crystalline Powder
- pka
- 2.82 · 2.82±0.13(Predicted)
- color
- Yellow
- Sensitive
- Light Sensitive
- BRN
- 120353 · 120353
- InChI
- 1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)
- InChIKey
- UGSBCCAHDVCHGI-UHFFFAOYSA-N
- SMILES
- Nc1ccc(cn1)[N+]([O-])=O
- CAS DataBase Reference
- 4214 · 4214-76-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Amino-5-nitropyridine(4214-76-0)
- EPA Substance Registry System
- 2 · 2-Pyridinamine, 5-nitro- (4214-76-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 305 · P305+P351+P338-P261-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-24/25-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Amino-5-nitropyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-24/25-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P305+P351+P338-P261-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinamine, 5-nitro-: INACTIVE
Applications
Uses2-Amino-5-nitropyridine is used as an intermediate in organic synthesis and pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Downstream products
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