2-Amino-3,5-dichlorbenzoesure

2-AMINO-3,5-DICHLOROBENZOIC ACID · BUTTPARK 49\07-46 · RARECHEM AL BO 0770 · TIMTEC-BB SBB003493 · Tafamidis Impurity 2 · LABOTEST-BB LT00241952 · 3,5-dichloro-anthranilicaci · 3,5-DICHLOROANTHRANILIC ACID

https://huagongshe.com/de/chemical/76036

Molekülstruktur von 2-Amino-3,5-dichlorbenzoesure

Identifikatoren & physikalische Daten

CAS No.	2789-92-6
Summenformel	C7H5Cl2NO2
Durchschnittliche Molmasse	206,02 g/mol
Monoisotopische Masse	204,96973376 g/mol
SMILES	Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIKey	KTHTXLUIEAIGCD-UHFFFAOYSA-N
PubChem CID	76036
ChEMBL	CHEMBL2447899
EC No.	220-520-3
DTXSID	DTXSID50182183
Lokaler Name	2-Amino-3,5-dichlorbenzoesure

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	63,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	188
SpringerMaterials Properties	Crystal structure
LogP (Verteilungskoeffizient)	1.82
Schmelzpunkt	227-230 °C(lit.)
Siedepunkt	344.4±42.0 °C(Predicted)
Dichte	1.4062 (rough estimate)
Brechungsindex	1.6100 (estimate)
Lagerbedingungen	Storage temperature: no restrictions.
Löslichkeit	Acetic Acid (Slightly, Heated), DMSO (Slightly)insoluble
Aggregatzustand	Solid
pKa (Säurekonstante)	4.20±0.10(Predicted)
Farbe	White to Pale Yellow
BRN	779100
Hauptanwendungen	peptide synthesis
InChI	InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey	KTHTXLUIEAIGCD-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC(Cl)=CC(Cl)=C1N
CAS Datenbank	2789-92-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Benzoic acid, 2-amino-3,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	2
Zollcode	29224985
RTECS-Nr.	CB2800000
R-Sätze (R)	36/37/38
Toxizität	mouse,LD50,oral,1320mg/kg (1320mg/kg),BEHAVIORAL: EXCITEMENTLUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39-36
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2-Amino-3,5-dichlorobenzoic acid, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.