CAS 37699-43-7 2,3-Dimethyl-4-nitropyridine-N-oxide (HCID 148223)

Names & identifiers

Preferred name: 2,3-Dimethyl-4-nitropyridine-N-oxide
IUPAC: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
English name: 4-Nitro-2,3-lutidine-N-oxide
Molecular formula: C7H8N2O3
Molecular weight: 168.15

Names & synonyms

37699-43-72,3-Dimethyl-4-nitropyridine 1-oxide2,3-Dimethyl-4-nitropyridine N-Oxide2,3-Dimethyl-4-nitropyridine-N-oxidePyridine, 2,3-dimethyl-4-nitro-, 1-oxide4-Nitro-2,3-lutidine N-oxide2,3-dimethyl-4-nitropyridin-1-ium-1-olate2,3-dimethyl-4-nitro-1-oxidopyridin-1-iumBRN 1569438V7T97WM6BADTXSID50191134DIMETHYL-4-NITROPYRIDINE 1-OXIDE, 2,3-

Show more names

4-NITRO-2,3-DIMETHYLPYRIDINE N-OXIDE4-Nitro-2,3-lutidineLansoprazole Impurit HLansoprazole Impurit 9ansoprazole Impurity 23Lansoprazole Impurity 374-Nitro Lutidine N-oxideLansoprazole Nitro Compound

RefChem:442494DTXCID60113625609-469-14-Nitro-2,3-lutidine-N-oxideLansoprazole Impurity 212,3-dimethyl-4-nitro-1-oxido-pyridin-1-iumMFCD00065172Lansoprazole Nitro Impurity

Database identifiers

CAS: 37699-43-7
PubChem CID: 148223
DTXSID: DTXSID50191134
UNII: V7T97WM6BA
EC Number: 609-469-1
Nikkaji: J66.597E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 71.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 180

Physicochemical properties

Melting point: 94 · 94-98 °C (lit.)
Boiling point: 297.07 °C · 297.07°C (rough estimate)
Density: 1.3722 · 1.3722 (rough estimate)
refractive index: 1.52 · 1.5200 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Powder or Crystalline Powder
pka: -1.03 · -1.03±0.10(Predicted)
color: Pale yellow to yellow
BRN: 1569438 · 1569438
InChI: InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N
SMILES: C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1C
CAS DataBase Reference: 37699 · 37699-43-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 T97WM6BA · V7T97WM6BA
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 · 26-36
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 2807000 · UT2807000
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 11-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33360

Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (14%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: UT2807000
ridadr: 2811
hs_code: 29333990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesNitropyridine oxide derivative,Nitropyridine oxide derivatives show carcinogenicity and mutagenicity.

General Description4-Nitro-2,3-lutidine N-oxide can undergo reduction in the presence of Titanium(III) chloride in 50% aqueous acetonitrile. N-hydroxylamine is formed as a by-product during the reduction reaction.