Basic information
- Standard SMILES
Nc1ccncc1[N+](=O)[O-]- InChIKey
IUPPEELMBOPLDJ-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.0381764
Names & identifiers
- Preferred name
- 4-Amino-3-nitropyridine
- IUPAC
- 3-nitropyridin-4-amine
- English name
- 4-Amino-3-nitropyridine
- Molecular formula
- C5H5N3O2
- Molecular weight
- 139.11
Names & synonyms
4-Amino-3-nitropyridine1681-37-4DTXSID40338379RefChem:517852DTXCID50289464605-505-53-nitropyridin-4-amine4-Pyridinamine, 3-nitro-3-Nitro-4-pyridinamine3-Nitro-pyridin-4-ylamine3-Nitro-4-AminopyridineMFCD00160304
Show more names
TIMTEC-BB SBB0055333-Nitropyridin-4-amin4-aMine-3-nitropyridine(3-nitro-4-pyridyl)amine
3-nitro-4-pyridylamine3-Nitro-4-pyridinamine #Pyridine, 4-amino-3-nitro-SCHEMBL10856044-Amino-3-nitropyridine, 97%STK753175EN300-67515AE-641/00363027
Database identifiers
- CAS
1681-37-4- PubChem CID
- 548803
- DTXSID
DTXSID40338379- UNII
- MSL542D6HA
- EC Number
- 605-505-5
- Nikkaji
- J80.287E
Properties
Computed structural properties
- XLogP
- 0.6
- 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
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 203 · 203-207 °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)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Crystalline Powder
- pka
- 5.02 · 5.02±0.12(Predicted)
- color
- Yellow
- Water Solubility
- Insoluble in water.
- BRN
- 383710 · 383710
- InChI
- InChI=1S/C5H5N3O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H,(H2,6,7)
- InChIKey
- IUPPEELMBOPLDJ-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(N)=C1[N+]([O-])=O
- CAS DataBase Reference
- 1681 · 1681-37-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29333990
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-3-nitropyridine is used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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Ark Pharm, Inc.847-367-3680 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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上海贤鼎生物科技有限公司4009209199 · [email protected]
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越林试剂021-62960152 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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