2-Chlor-5-nitropyrimidin

2-Chloro-5-nitropyrimidine

HCID 82544CAS 10320-42-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cnc(Cl)nc1
InChIKey: OFCBNMYNAHUDGE-UHFFFAOYSA-N
Summenformel: C4H2ClN3O2
Durchschnittliche Molmasse: 159,53 g/mol
Monoisotopische Masse: 158,98355398

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-nitropyrimidine
IUPAC: 2-chloro-5-nitropyrimidine
Lokaler Name: 2-Chlor-5-nitropyrimidin
Englischer Name: 2-Chloro-5-nitropyrimidine
Summenformel: C4H2ClN3O2
Molmasse: 159.53

Namen und Synonyme

2-Chloro-5-nitropyrimidine10320-42-0Pyrimidine, 2-chloro-5-nitro-EINECS 233-703-8DTXSID30145695NSC 528724RefChem:86314DTXCID7068186233-703-8OFCBNMYNAHUDGE-UHFFFAOYSA-N2-Chloro-5-nitro-pyrimidineMFCD04117995

Weitere Namen anzeigen

2-CHLORO-5-NITRO-CHLORO(2-)-5-NITROPYRIDINEPYRIDINE, 2-CHLORO-5-NITRO-2-Chloro-5-nitro-1,3-diazine2-Chloro-5-nitropyrimidine 98%2-Chloro-5-nitropyrimidine >2-Chloro-5-nitropyrimidine ,98%2-Chloro-5-nitropyrimidine ISO 9001：2015 REACH

UNII-PN2GZ55G8RPN2GZ55G8RSCHEMBL61992NSC-528724PB15791PS-4725AC-24740SY007609

Datenbank-Bezeichner

CAS: 10320-42-0
PubChem CID: 82544
DTXSID: DTXSID30145695
UNII: PN2GZ55G8R
EC Number: 233-703-8
Nikkaji: J236.765C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 71,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 105 · 105-110 °C
Siedepunkt: 345.4 · 345.4±15.0 °C(Predicted)
Dichte: 1.6 · 1.600±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
pka: -4.6 · -4.60±0.22(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C4H2ClN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKey: OFCBNMYNAHUDGE-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C([N+]([O-])=O)C=N1
CAS Datenbank: 10320 · 10320-42-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 29335990
RTECS-Nr.: US7175000
risk_code: 36/37/38-43-41-37/38-22-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-37/39-36/37/39-36/37-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-5-nitropyrimidine is an advanced intermediate for kinase/PRMT1 inhibitors, antiviral drugs, and other purine drugs. It can also be converted into herbicides, fungicides, and insecticides, providing targeted crop protection while maintaining good environmental friendliness.