Methyl-3-chlor-4-hydroxybenzoat

Methyl 3-chloro-4-hydroxybenzoate

HCID 77580CAS 3964-57-6

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(O)c(Cl)c1
InChIKey: ZSBIMTDWIGWJPW-UHFFFAOYSA-N
Summenformel: C8H7ClO3
Durchschnittliche Molmasse: 186,59 g/mol
Monoisotopische Masse: 186,00837176

Namen und Bezeichner

Bevorzugter Name: Methyl 3-chloro-4-hydroxybenzoate
IUPAC: methyl 3-chloro-4-hydroxybenzoate
Lokaler Name: Methyl-3-chlor-4-hydroxybenzoat
Englischer Name: Methyl 3-chloro-4-hydroxybenzoate
Summenformel: C8H7ClO3
Molmasse: 186.59

Namen und Synonyme

Methyl 3-chloro-4-hydroxybenzoate3964-57-6Benzoic acid, 3-chloro-4-hydroxy-, methyl esterDTXSID90192746EINECS 223-573-0NSC 210795RefChem:157464DTXCID30115237223-573-0ZSBIMTDWIGWJPW-UHFFFAOYSA-N3-Chloro-4-hydroxybenzoic acid methyl esterMFCD00016418

Weitere Namen anzeigen

RARECHEM AL BF 0232Methyl 3-chloro-4-hydroxybenzoatMETHYL-4-HYDROXY-3-CHLOROBENZOATE3-chloro-4-hydroxy-2-methylbenzoateMethyl 3-chloro-4-hydroxybenzoate-98%4-HYDROXY-3-CHLOROBENZOIC ACID METHYL ESTER4-HYDROXY-3-CHLOROBENZOIC ACID METHYL ESTER 97%

Methyl 3-chloro-4-hydroxy benzoatemethyl 3-chloro-4-hydroxy-benzoateAKOS007930285NSC-210795AC-71753-Chloro-4-hydroxy-benzoic acid methyl esterMETHYL3-CHLORO-4-HYDROXYBENZOATENSC210795

Datenbank-Bezeichner

CAS: 3964-57-6
PubChem CID: 77580
DTXSID: DTXSID90192746
UNII: X596AV9FDN
EC Number: 223-573-0
Nikkaji: J195.946H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-110°C
Siedepunkt: 284.9 · 284.9±20.0 °C(Predicted)
Dichte: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 6.89 · 6.89±0.18(Predicted)
BRN: 2641291 · 2641291
InChI: InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChIKey: ZSBIMTDWIGWJPW-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(O)C(Cl)=C1
CAS Datenbank: 3964 · 3964-57-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)

Sicherheitsdaten

safety_code: 22-24/25

Chemie und Industrie

Anwendungen

VerwendenMethyl 3-Chloro-4-hydroxybenzoate is a reagent in the preparation of alkylidene hydrazides as human glucagon receptor antagonists for the treatment of hyperglycemia and diabetes.