2-Amino-4-methyl-5-nitropyridine
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Basic information
- CAS
21901-40-6- Standard SMILES
Cc1cc(N)ncc1[N+](=O)[O-]- InChIKey
GRBBNZYMXKTQAI-UHFFFAOYSA-N- Molecular formula
- C6H7N3O2
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.05382646
Names & identifiers
- Preferred name
- 2-Amino-4-methyl-5-nitropyridine
- IUPAC
- 4-methyl-5-nitropyridin-2-amine
- English name
- 2-Amino-5-nitro-4-picoline
- Molecular formula
- C6H7N3O2
- Molecular weight
- 153.14
Names & synonyms
2-Amino-4-methyl-5-nitropyridineDTXSID20287770RefChem:464325DTXCID50238917624-887-421901-40-64-methyl-5-nitropyridin-2-amine2-Amino-5-nitro-4-picoline4-Methyl-5-nitro-2-pyridinamine2-AMINO-5-NITRO-4-METHYLPYRIDINEMFCD000106922-PYRIDINAMINE, 4-METHYL-5-NITRO-
Show more names
2-Amino-5-nitro-4-picoline,98%2-AMiono-4Methyl-5Nitropyridine2-Amino-4-Mythyl-5-NitroPyridine4-Methyl-5-nitropyridine-2-amine2-Pyridinamine,4-methyl-5-nitro-
4-METHYL-5-NITRO-PYRIDIN-2-YLAMINESCHEMBL474593MLS0026675392-amino-4-methyl-5-nitropyridinHMS3079C144-Methyl-5-nitro-2-pyridinamine #HY-W002060AC-1722
Database identifiers
- CAS
21901-40-6- PubChem CID
- 243165
- DTXSID
DTXSID20287770- ChEMBL
CHEMBL3187059- EC Number
- 624-887-4
- Nikkaji
- J83.113A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 223 · 223-225 °C (lit.)
- Boiling point
- 276.04 °C · 276.04°C (rough estimate)
- Density
- 1.3682 · 1.3682 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in DMSO.
- pka
- 3.44 · 3.44±0.24(Predicted)
- form
- Powder
- color
- Orange to yellow-brown
- BRN
- 137695 · 137695
- InChI
- InChI=1S/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8)
- InChIKey
- GRBBNZYMXKTQAI-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C([N+]([O-])=O)C(C)=C1
- CAS DataBase Reference
- 21901 · 21901-40-6(CAS DataBase Reference)
- Comptox DTXSID
- 20287770 · DTXSID20287770
- 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, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-37/39-36/37/39-22-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933399090 · 2933399090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
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 76 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933399090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37/39-22-36
- 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-4-methyl-5-nitropyridine was used in the preparation of matrix mixture required to study new technical developments for the direct tissue analysis of peptides.
General DescriptionThe crystal structure of 2-amino-4-methyl-5-nitropyridine was elucidated.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
26 records
Compound notes
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