2-Chloro-6-methyl-3-nitropyridine

HCID 1268230

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Grundinformationen

CAS: 56057-19-3
Standard-SMILES: Cc1ccc([N+](=O)[O-])c(Cl)n1
InChIKey: UIEVSGOVFXWCIK-UHFFFAOYSA-N
Summenformel: C6H5ClN2O2
Durchschnittliche Molmasse: 172,57 g/mol
Monoisotopische Masse: 172,0039551

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methyl-3-nitropyridine
IUPAC: 2-chloro-6-methyl-3-nitropyridine
Englischer Name: 2-Chloro-3-nitro-6-methylpyridine
Summenformel: C6H5ClN2O2
Molmasse: 172.57

Namen und Synonyme

56057-19-32-chloro-6-methyl-3-nitropyridineDTXSID90361475RefChem:259127DTXCID50312524675-101-12-Chloro-3-nitro-6-methylpyridine6-Chloro-5-nitro-2-picoline2-Chloro-3-nitro-6-picolineMFCD030858202-chloro-6-methyl-3-nitro-pyridinePyridine, 2-chloro-6-methyl-3-nitro-

Weitere Namen anzeigen

TIMTEC-BB SBB0038326-chloro-nitro-2-meth2-Chloro-3-nitro-6-Methyl6-chloro-nitro-2-methoxypridine6-Chloro-5-nitro-2-picoline,98%2-Chloro-6-methyl-3-nitropyridin6-chloro-2-methyl-5-nitropyridine

AC-5407AC-9491PS-4678CS-0007518A8074AM20070081SCHEMBL136263SCHEMBL27584896

Datenbank-Bezeichner

CAS: 56057-19-3
PubChem CID: 1268230
DTXSID: DTXSID90361475
EC Number: 675-101-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-74 °C
Siedepunkt: 200 °C · 200°C (rough estimate)
Dichte: 1.561 · 1.5610 (rough estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: Powder
pka: -1 · -1+-.0.10(Predicted)
Farbe: Brown
InChI: InChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3
InChIKey: UIEVSGOVFXWCIK-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1[N+]([O-])=O
CAS Datenbank: 56057 · 56057-19-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (20%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (20%)；Acute Tox. 4 (40%)；Acute Tox. 3 (20%)；Acute Tox. 4 (40%)；Skin Irrit. 2 (80%)；Eye Irrit. 2A (80%)；Acute Tox. 3 (20%)；Acute Tox. 4 (40%)；STOT SE 3 (60%)