CAS 176977-85-8 Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1) (HCID 16655470)

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Basic information

CAS: 176977-85-8
Standard SMILES: COC(=O)c1cc(Cl)ccn1.Cl
InChIKey: PAGFSBPYVNFHAS-UHFFFAOYSA-N
Molecular formula: C7H7Cl2NO2
Average molar mass: 208.04 g/mol
Monoisotopic mass: 206.98538382

Names & identifiers

Preferred name: Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)
IUPAC: methyl 4-chloropyridine-2-carboxylate;hydrochloride
English name: Methyl 4-chloro-2-pyridinecarboxylate hydrochloride
Molecular formula: C7H7Cl2NO2
Molecular weight: 208.04

Names & synonyms

176977-85-8DTXSID80586514Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)RefChem:355678DTXCID90537279Methyl 4-chloropicolinate hydrochlorideMethyl 4-chloropyridine-2-carboxylate hydrochlorideMethyl 4-chloro-2-pyridinecarboxylate hydrochloride4-Chloro-pyridine-2-carboxylic acid methyl ester hydrochlorideMFCD05864729Methyl 4-Chloropicolinate Hydrochloride Saltmethyl 4-chloropyridine-2-carboxylate;hydrochloride

Show more names

oropicoLEOS-61639oride SaLZinc00337474inate HydrochLMETHYL 4-CHLOROPICOLINATE, HCL4-Chloropicolinic acid methyl ester HClMETHYL 4-CHLORO-2-PYRIDINECARBOXYLATE, HCL

4-Chloropyridine-2-carboxylic acid methyl ester hydrochloride2-Pyridinecarboxylic acid, 4-chloro-, methyl ester, hydrochloride (1:1)Methyl 4-Chloropyridine-2-carboxylate Hydrochloride; 4-Chloro-2-pyridinecarboxylic Acid Methyl Ester Hydrochloride;Sorafenib Impurity 55 HCl2Q37CLX6EGDiscontinued See M294457SCHEMBL177902PAGFSBPYVNFHAS-UHFFFAOYSA-N

Properties

Computed structural properties

Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 136 · 136-138
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Methanol, Water
form: Solid
color: Pale Yellow
InChI: 1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H
InChIKey: PAGFSBPYVNFHAS-UHFFFAOYSA-N
SMILES: Cl.COC(=O)c1cc(Cl)ccn1
CAS DataBase Reference: 176977 · 176977-85-8(CAS DataBase Reference)
UNSPSC Code: 12352108 · 12352108
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H319
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

UsesMethyl 4-Chloropyridine-2-carboxylate Hydrochloride_x000D_Discontinued See M294457 (cas# 176977-85-8) is a compound useful in organic synthesis.