CAS 73896-36-3 2-Amino-6-methoxy-3-nitropyridine (HCID 3852428)

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Basic information

CAS: 73896-36-3
Standard SMILES: COc1ccc([N+](=O)[O-])c(N)n1
InChIKey: RDJILYVRVOTMTQ-UHFFFAOYSA-N
Molecular formula: C6H7N3O3
Average molar mass: 169.14 g/mol
Monoisotopic mass: 169.04874108

Names & identifiers

Preferred name: 2-Amino-6-methoxy-3-nitropyridine
IUPAC: 6-methoxy-3-nitropyridin-2-amine
English name: 2-Amino-6-methoxy-3-nitropyridine
Molecular formula: C6H7N3O3
Molecular weight: 169.14

Names & synonyms

2-Amino-6-methoxy-3-nitropyridine73896-36-3DTXSID50397331RefChem:464781DTXCID40348190616-028-76-methoxy-3-nitropyridin-2-amine2-Amino-3-nitro-6-methoxypyridineMFCD03206481SCHEMBL3363036-Methoxy-3-nitro-2-pyridineamineSTK785094

Show more names

TENA-0012-Amino-6-methoxy-3-nitropyrid6-Methoxy-3-nitropyridin-2-amin6-Methoxy-3-Nitro-2-Pyridinamine2-AMINO-3-NITRO-6-METHOXYLPYRIDINE2-PYRIDINAMINE, 6-METHOXY-3-NITRO-6-METHOXY-3-NITRO-2-PYRIDINYLAMINE

AKOS005254874CS-W003032AB13809PS-55042-Amino-6-methoxy-3-nitropyridine, 97%EN300-1274836-methoxy-3-nitro-2-pyridylamine2-AMINO-3-NITRO-6-METHOXY PYRIDINE

Database identifiers

CAS: 73896-36-3
PubChem CID: 3852428
DTXSID: DTXSID50397331
EC Number: 616-028-7
Nikkaji: J985.074K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 94 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 171 · 171-172°C
Boiling point: 338.5 · 338.5±37.0 °C(Predicted)
Density: 1.4 · 1.400±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 0.17 · 0.17±0.50(Predicted)
color: Yellow
InChI: 1S/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8)
InChIKey: RDJILYVRVOTMTQ-UHFFFAOYSA-N
SMILES: COc1ccc(c(N)n1)[N+]([O-])=O
CAS DataBase Reference: 73896 · 73896-36-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H315-H319-H334-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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 CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
hs_code: 29333990
risk_code: 22-36/37/38-43
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: Xi,Xn
safety_code: 26-36/37
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H334-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P312+P330-P302+P352-P305+P351+P338