Basic information
- CAS
15009-91-3- Standard SMILES
O=[N+]([O-])c1ccccn1- InChIKey
HLTDBMHJSBSAOM-UHFFFAOYSA-N- Molecular formula
- C5H4N2O2
- Average molar mass
- 124.1 g/mol
- Monoisotopic mass
- 124.02727737
Names & identifiers
- Preferred name
- 2-Nitropyridine
- IUPAC
- 2-nitropyridine
- English name
- 2-Nitropyridine
- Molecular formula
- C5H4N2O2
- Molecular weight
- 124.1
Names & synonyms
2-NITROPYRIDINE15009-91-3Pyridine, nitro-NitropyridineDTXSID0087876656778-64-4RefChem:477230DTXCID60993626685-968-8InChI=1/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4Pyridine, 2-nitro-Pyridine, 2-nitro- (6CI, 7CI, 8CI, 9CI)
Show more names
α-Nitropyridine2-Nitropyridine,97%
MFCD001604142-Nitropyridine, 97%NSC129217AKOS000431569NSC-129217NSC-159025SB53797SY358363
Database identifiers
- CAS
15009-91-3、56778-64-4- PubChem CID
- 26998
- DTXSID
DTXSID00878766- ChEMBL
CHEMBL3274304- UNII
- SX4TC65NVR
- EC Number
- 685-968-8
- Nikkaji
- J100.523E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 69 · 69-73℃
- Boiling point
- 230.85 °C · 230.85°C (rough estimate)
- Density
- 1.4317 · 1.4317 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- storage temp.
- Store at room temperature
- pka
- -2.54 · -2.54±0.12(Predicted)
- form
- powder
- Appearance
- Light brown to yellow Solid
- InChI
- 1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H
- InChIKey
- HLTDBMHJSBSAOM-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccn1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Not Classified
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 21-25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H312-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers42 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海泰坦科技股份有限公司
Related reactions
15 records
Compound notes
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