2-Chlor-6-methylnicotinsure

2-Chloro-6-methylnicotinic acid

HCID 121724

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Grundinformationen

CAS: 30529-70-5
Standard-SMILES: Cc1ccc(C(=O)O)c(Cl)n1
InChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-N
Summenformel: C7H6ClNO2
Durchschnittliche Molmasse: 171,58 g/mol
Monoisotopische Masse: 171,00870611

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methylnicotinic acid
IUPAC: 2-chloro-6-methylpyridine-3-carboxylic acid
Lokaler Name: 2-Chlor-6-methylnicotinsure
Englischer Name: 2-Chloro-6-methylnicotinic acid
Summenformel: C7H6ClNO2
Molmasse: 171.58

Namen und Synonyme

2-Chloro-6-methylnicotinic acid30529-70-5EINECS 250-229-7DTXSID90184585RefChem:469699DTXCID30107076250-229-72-chloro-6-methylpyridine-3-carboxylic acid2-Chloro-6-methyl-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-chloro-6-methyl-MFCD001341652-Chloro-6-methylnicotinicacid

Weitere Namen anzeigen

4-Chloro-6-methylnicotinic acidRARECHEM AL BO 06836-METHYL-2-CHLORO NICOTINIC ACID2-Chlroro-6-Methylnicotinic Acid2-Chloro-6-methylnicotinicacid,97%2-Chloro-6-methylnicotinic acid 98%3-CARBOXY-2-CHLORO-6-METHYLPYRIDINE

2-Chloro-6-methyl nicotinic acidUNII-6HJ6V3KP7Q6HJ6V3KP7QSY009352TIMTEC-BB SBB003843SCHEMBL4006742-Chloro-6-methyl-nicotinic acidALBB-005466

Datenbank-Bezeichner

CAS: 30529-70-5
PubChem CID: 121724
DTXSID: DTXSID90184585
UNII: 6HJ6V3KP7Q
EC Number: 250-229-7
Nikkaji: J287.361C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 162 · 162-164 °C (lit.)
Siedepunkt: 163 °C · 163 °C / 22mmHg
Dichte: 1.3246 · 1.3246 (rough estimate)
Brechungsindex: 1.556 · 1.5560 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: Crystalline Powder
pka: 2.28 · 2.28±0.28(Predicted)
Farbe: White to yellow to beige
BRN: 473070 · 473070
InChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)
InChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1C(O)=O
CAS Datenbank: 30529 · 30529-70-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-6-methylpyridine-3-carboxylic acid (2-Chloro-6-methylnicotinic acid) may be used in the synthesis of 6-methyl-2-thiophenoxynicotinic acid, required for the preparation of europium complex for staining the nucleolus of NIH 3T3, HeLa and HDF cells.