Methyl 4-chloro-6-methylpyridine-3-carboxylate

HCID 20691977

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Grundinformationen

CAS: 886372-05-0
Standard-SMILES: COC(=O)c1cnc(C)cc1Cl
InChIKey: VAKBQHRUUZLSLW-UHFFFAOYSA-N
Summenformel: C8H8ClNO2
Durchschnittliche Molmasse: 185,61 g/mol
Monoisotopische Masse: 185,0243562

Namen und Bezeichner

Bevorzugter Name: Methyl 4-chloro-6-methylpyridine-3-carboxylate
IUPAC: methyl 4-chloro-6-methylpyridine-3-carboxylate
Englischer Name: 4-Chloro-6-methyl-nicotinic acid methyl ester
Summenformel: C8H8ClNO2
Molmasse: 185.61

Namen und Synonyme

886372-05-0METHYL 4-CHLORO-6-METHYLPYRIDINE-3-CARBOXYLATEDTXSID30609404RefChem:816355DTXCID70560161824-857-2METHYL 4-CHLORO-6-METHYLNICOTINATEMFCD073749194-CHLORO-6-METHYL-NICOTINIC ACID METHYL ESTERmethyl 4-chloro-6-methyl-pyridine-3-carboxylateAKOS006286323BS-23976

Weitere Namen anzeigen

-CHLORO-6-METHYL-NICOTINIC ACID METHYL ESTERMethyl 4-chloro-6-methypyridine-3-carboxylate4-Chloro-6-methyl-3-pyridinecarboxylic acid methyl estermethyl 4-chloro-6-methylpyridine-3-carboxylate - [AC78694]3-Pyridinecarboxylic acid, 4-chloro-6-methyl-, methyl ester

SY041710CS-0081042EN300-1724913Methyl4-chloro-6-methylnicotinateFT-06473194-CHLORO-6-METHYLA861639SCHEMBL2217864

Datenbank-Bezeichner

CAS: 886372-05-0
PubChem CID: 20691977
DTXSID: DTXSID30609404
EC Number: 824-857-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Siedepunkt: 242.7 · 242.7±35.0 °C(Predicted)
Dichte: 1.247 · 1.247±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 2.84 · 2.84±0.10(Predicted)
InChI: InChI=1S/C8H8ClNO2/c1-5-3-7(9)6(4-10-5)8(11)12-2/h3-4H,1-2H3
InChIKey: VAKBQHRUUZLSLW-UHFFFAOYSA-N
SMILES: C1=NC(C)=CC(Cl)=C1C(OC)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；Resp. Sens. 1 (50%)；STOT SE 3 (100%)