4-Nitropyridine 1-oxide

Modify Date: 2025-08-21 21:06:16

4-Nitropyridine 1-oxide Structure
4-Nitropyridine 1-oxide structure
Common Name 4-Nitropyridine 1-oxide
CAS Number 1074-98-2 Molecular Weight 140.097
Density 1.4±0.1 g/cm3 Boiling Point 397.2±15.0 °C at 760 mmHg
Molecular Formula C6H6N2O3 Melting Point 135-139 °C
MSDS Chinese USA Flash Point 194.0±20.4 °C
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Warning

 Names

Name 4-Nitro-3-picoline N-oxide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 397.2±15.0 °C at 760 mmHg
Melting Point 135-139 °C
Molecular Formula C6H6N2O3
Molecular Weight 140.097
Flash Point 194.0±20.4 °C
Exact Mass 140.022186
PSA 71.28000
LogP -0.55
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.601
InChIKey SSOURMYKACOBIV-UHFFFAOYSA-N
SMILES Cc1c[n+]([O-])ccc1[N+](=O)[O-]
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT5775000
CHEMICAL NAME :
Pyridine, 3-methyl-4-nitro-, 1-oxide
CAS REGISTRY NUMBER :
1074-98-2
BEILSTEIN REFERENCE NO. :
0140157
LAST UPDATED :
199612
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C6-H6-N2-O3
MOLECULAR WEIGHT :
154.14
WISWESSER LINE NOTATION :
T6NJ AO C1 DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1680 mg/kg/28W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1680 mg/kg/15W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - hamster Cells - not otherwise specified
DOSE/DURATION :
8 umol/L
REFERENCE :
NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 229,416,1971

 Safety Information

Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335-H351
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22;R40
Safety Phrases S45-S36/37-S36-S26-S22
RIDADR 2811
RTECS UT5775000
Packaging Group II
Hazard Class 6.1

 Synthetic Route

~80%

4-Nitropyridine 1-oxide Structure

4-Nitropyridine...

CAS#:1074-98-2

Literature: Spivey, Alan C.; Shukla, Lena; Hayler, Judy F. Organic Letters, 2007 , vol. 9, # 5 p. 891 - 894

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4-Nitropyridine 1-oxide Structure

4-Nitropyridine...

CAS#:1074-98-2

Literature: WO2012/160464 A1, ; WO 2012/160464 A1

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4-Nitropyridine 1-oxide Structure

4-Nitropyridine...

CAS#:1074-98-2

Literature: Journal of Organic Chemistry, , vol. 19, p. 1633,1636 Org. Synth. Coll., , vol. Vol. IV, p. 166

 4-Nitropyridine 1-oxideBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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 Synonyms

3-methyl-4-nitropyridine-N-oxide
4-Nitro-3-picoline N-Oxide
4-Nitropyridine-N-oxide
4-Nitro-B-picoline N-oxide
3-methyl-4-nitro-pyridin1-oxide
3-methyl-4-nitropyridine-l-oxide
4-Nitropyridine-1-oxyde
EINECS 214-050-8
4-Nitro-3-picoline 1-oxide
3-Methyl-4-nitropyridine N-Oxide
MFCD00014626
3-Picoline,4-nitro-,1-oxide
4-Nitro-3-picoline-N-oxide
3-methyl-4-nitropyridine-1-oxide
3-Methyl-4-nitropyri
4-Nitropyridine 1-oxide
Pyridine, 4-nitro-, 1-oxide
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