3-Nitropyridin-2-ylamine (HCID 77887)

Names & identifiers

Preferred name: 3-Nitropyridin-2-ylamine
IUPAC: 3-nitropyridin-2-amine
English name: 2-Amino-3-nitropyridine
Molecular formula: C5H5N3O2
Molecular weight: 139.11

Names & synonyms

2-Amino-3-nitropyridine4214-75-93-Nitropyridin-2-ylamineEINECS 224-144-0DTXSID40194977NSC 12460RefChem:504511DTXCID80117468224-144-0InChI=1/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,73-nitropyridin-2-amine3-Nitro-2-pyridinamine

Show more names

3-nitropyridin-2-amin2-Pyridinamine,3-nitro-3-NITRO-2-AMINO-PYRIDINE2-Pyridinamine,3-nitro-(9

3-Nitro-2-aminopyridine3-Nitro-pyridin-2-ylamine2-Pyridinamine, 3-nitro-MFCD00006314Pyridine, 2-amino-3-nitro-2-AMINO-3-NITRO PYRIDINE3-nitro-2-pyridylamineNSC12460

Database identifiers

CAS: 4214-75-9
PubChem CID: 77887
DTXSID: DTXSID40194977
UNII: U52GH47YQX
EC Number: 224-144-0
Nikkaji: J29.745C

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 84.7 Å²
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: 163 · 163-165 °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: 167 °C · 167 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 3 g/l · 3g/l
form: Crystalline Powder and Needles
pka: 2.4 · 2.40±0.36(Predicted)
color: Yellow
BRN: 124468 · 124468
InChI: 1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)
InChIKey: BPYHGTCRXDWOIQ-UHFFFAOYSA-N
SMILES: Nc1ncccc1[N+]([O-])=O
CAS DataBase Reference: 4214 · 4214-75-9(CAS DataBase Reference)
FDA UNII: 52 GH47YQX · U52GH47YQX
NIST Chemistry Reference: 2 · 2-Amino-3-nitropyridine(4214-75-9)
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 8 · 8-23
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 · 4 items

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 45 reports by companies from 5 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

F: 8-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: 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-3-nitropyridine is a herbicide and functions in plant growth-promoting activity. It also functions as an intermediate in the preparation of N-(pyridinyl)benzenesulfonamides with antibacterial and antifungal activities.

General Description2-Amino-3-nitropyridine functionalizes Wang resin via a carbamate linkage.

Upstream & downstream products

Upstream raw materials

2-nitroethene-1,1-diamine 2-Methoxy-3-nitropyridine 2-Chloro-3-nitropyridine

Downstream products

2-Fluoro-3-nitropyridine 3-Amino-2-fluoropyridine 2,3-Diaminopyridine 2-HYDRAZINO-3-NITROPYRIDINE 2-CHLORO-5-IODO-PYRIDIN-3-YLAMINE 2-Amino-5-bromo-3-nitropyridine 2-Amino-5-nitropyridine methyl 2-[(3-nitropyridin-2-yl)amino]acetate IMidodicarbonic acid, 2-(3-nitro-2-pyridinyl)-, 1,3-bis(1,1-diMethylethyl) ester 3-((3-AMinopyridin-2-yl)aMino)propanenitrile 1H-Imidazo[4,5-b]pyridine,2-(1-methylethyl)-(9CI)

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]

Related reactions

23 records

New reaction record

HRID 36106As reactantuspto-grants-1995_05

HRID 64058As reactantuspto-grants-2016_09

HRID 456683As reactantuspto-grants-2007_03

HRID 555221As reactantuspto-grants-2011_11

HRID 636544As productuspto-grants-2001_02

HRID 644254As reactantuspto-grants-2010_04

HRID 651657As reactantuspto-grants-2001_08

HRID 679742As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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Basic information