2-Amino-3-iodo-5-nitropyridine

HCID 11623112

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Basic information

CAS: 25391-56-4
Standard SMILES: Nc1ncc([N+](=O)[O-])cc1I
InChIKey: FEADVZZIWYNCBF-UHFFFAOYSA-N
Molecular formula: C5H4IN3O2
Average molar mass: 265.01 g/mol
Monoisotopic mass: 264.93482437

Names & identifiers

Preferred name: 2-Amino-3-iodo-5-nitropyridine
IUPAC: 3-iodo-5-nitropyridin-2-amine
English name: 2-AMINO-3-IODO-5-NITROPYRIDINE
Molecular formula: C5H4IN3O2
Molecular weight: 265.01

Names & synonyms

2-AMINO-3-IODO-5-NITROPYRIDINE3-Iodo-5-nitro-2-pyridinamineRefChem:463907625-278-63-iodo-5-nitropyridin-2-amine25391-56-4MFCD073688633-iodo-5-nitro-pyridin-2-amine2-Pyridinamine,3-iodo-5-nitro-SCHEMBL1222349DTXSID30469621AKOS005072289

Show more names

2-Pyridinamine, 3-iodo-5-nitro-3-Iodo-5-nitro-pyridin-2-ylamine2-AMINO-3-IODO-5-NITROPYRIDINE ISO 9001：2015 REACH

CS-W021945DC-0717MB044883-iodo-5-nitro-2-pyridylamineSBB0542612-Amino-3-iodo-5-nitropyridine, 97%AC-27555SY064969

Database identifiers

CAS: 25391-56-4
PubChem CID: 11623112
DTXSID: DTXSID30469621
EC Number: 625-278-6

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 231 · 231-236 °C
Boiling point: 391.7 · 391.7±42.0 °C(Predicted)
Density: 2.229 · 2.229±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 0.41 · 0.41±0.49(Predicted)
Appearance: Light yellow to yellow Solid
InChI: 1S/C5H4IN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8)
InChIKey: FEADVZZIWYNCBF-UHFFFAOYSA-N
SMILES: Nc1ncc(cc1I)[N+]([O-])=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38-43
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 29333990
risk_code: 22-36/37/38-43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H317-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338