CAS 24484-93-3 Methyl 4-Chloropicolinate (HCID 820890)

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Basic information

CAS: 24484-93-3
Standard SMILES: COC(=O)c1cc(Cl)ccn1
InChIKey: VTENWIPSWAMPKI-UHFFFAOYSA-N
Molecular formula: C7H6ClNO2
Average molar mass: 171.58 g/mol
Monoisotopic mass: 171.0087061

Names & identifiers

Preferred name: Methyl 4-Chloropicolinate
IUPAC: methyl 4-chloropyridine-2-carboxylate
English name: Methyl 4-chloropicolinate
Molecular formula: C7H6ClNO2
Molecular weight: 171.58

Names & synonyms

24484-93-3Methyl 4-ChloropicolinateDTXSID20356253RefChem:355677DTXCID30307312677-529-4methyl 4-chloropyridine-2-carboxylate4-Chloro-pyridine-2-carboxylic acid methyl ester2-PYRIDINECARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER4-Chloro-2-pyridinecarboxylic Acid Methyl Estermethyl 4-chloro-2-pyridinecarboxylate4-Chloropicolinic Acid Methyl Ester

Show more names

4-chloropicolinateEOS-62380IFLAB-BB F2108-0101Sorafenib Impurity 01oro-2-pyridinecarboxyLMethyl 4-chloropicolite

MFCD041161834-Chloropyridine-2-carboxylic acid methyl esterMethyl4-chloropicolinateSS4GRT8SQE4-Chloro-pyridine-2-carboxylicacidmethylesterSCHEMBL177762SCHEMBL4927916SCHEMBL30142073

Database identifiers

CAS: 24484-93-3
PubChem CID: 820890
DTXSID: DTXSID20356253
UNII: SS4GRT8SQE
EC Number: 677-529-4
Nikkaji: J1.145.122E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 50 · 50-52
Boiling point: 105 · 105-111 °C(Press: 2-3 Torr)
Density: 1.294 · 1.294±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: -0.25 · -0.25±0.10(Predicted)
color: Off-White to Beige
InChI: InChI=1S/C7H6ClNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3
InChIKey: VTENWIPSWAMPKI-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=CC(Cl)=C1
CAS DataBase Reference: 24484 · 24484-93-3(CAS DataBase Reference)
UNSPSC Code: 12352106 · 12352106
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 33 reports by companies from 6 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.