3-Chloro-5-cyanopyridine-2-carboxylic acid

HCID 50853176CAS 1200497-81-9

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Grundinformationen

Standard-SMILES: N#Cc1cnc(C(=O)O)c(Cl)c1
InChIKey: NHQRPMDOQOKWPU-UHFFFAOYSA-N
Summenformel: C7H3ClN2O2
Durchschnittliche Molmasse: 182,56 g/mol
Monoisotopische Masse: 181,988305

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-5-cyanopyridine-2-carboxylic acid
IUPAC: 3-chloro-5-cyanopyridine-2-carboxylic acid
Englischer Name: 2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid
Summenformel: C7H3ClN2O2
Molmasse: 182.56

Namen und Synonyme

1200497-81-93-chloro-5-cyanopyridine-2-carboxylic acidDTXSID00678884RefChem:93459DTXCID40629633839-588-63-Chloro-5-cyanopicolinic acid3-chloro-5-cyano-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3-chloro-5-cyano-3-chloro-5-cyano-pyridine-2-carboxylic acidMFCD145848173-Chloro-5-cyanopicolinic acid3-chloro-5-cyanopicolinic acid

Weitere Namen anzeigen

2-Carboxy-3-chloro-5-cyanopyridine2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid

2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolchloro-5-cyanopicolinic acid3-Chloro-5-cyanopicolinicacidSCHEMBL1173688NHQRPMDOQOKWPU-UHFFFAOYSA-NAYB49781SBB089957AKOS005071736

Datenbank-Bezeichner

CAS: 1200497-81-9
PubChem CID: 50853176
DTXSID: DTXSID00678884
EC Number: 839-588-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 74 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 235

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 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.