2,4-Dichlor-6-nitroanilin

TIMTEC-BB SBB003479 · 4,6-DICHLORO-2-NITROANILINE · 2,4-DICHLORO-6-NITROANILINE · 2-Nitro-4,6-dichloroaniline · 2,4-Dichloro-6-nitroaniline,99% · 2,4-DICHLORO-6-NITROANILINE 99% · 2,4-DICHLORO-6-NITROBENZENAMINE · 2,4-DICHLORO-6-NITRO-PHENYLAMINE

https://huagongshe.com/de/chemical/75893

Molekülstruktur von 2,4-Dichlor-6-nitroanilin

Identifikatoren & physikalische Daten

CAS No.	2683-43-4
Summenformel	C6H4Cl2N2O2
Durchschnittliche Molmasse	207,01 g/mol
Monoisotopische Masse	205,96498273 g/mol
SMILES	Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
InChIKey	IZEZAMILKKYOPW-UHFFFAOYSA-N
PubChem CID	75893
ChEMBL	CHEMBL3187155
EC No.	220-241-7
DTXSID	DTXSID4041361
Lokaler Name	2,4-Dichlor-6-nitroanilin

Chemische & physikalische Eigenschaften

XLogP	2,9
Polarare Oberfläche (TPSA)	71,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	185
SpringerMaterials Properties	Diamagnetic susceptibility
Collision Cross Section	131.4 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4041361]
Schmelzpunkt	101-103 °C (lit.)
Siedepunkt	360.98°C (rough estimate)
Dichte	1.6257 (rough estimate)
Brechungsindex	1.6100 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	pK1:-3.00(+1) (25°C)
Farbe	Yellow to Very Dark Yellow
BRN	642902
InChI	1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChIKey	IZEZAMILKKYOPW-UHFFFAOYSA-N
SMILES	Nc1c(Cl)cc(Cl)cc1[N+]([O-])=O
CAS Datenbank	2683-43-4(CAS DataBase Reference)
EPA chemische Informationen	2,4-Dichloro-6-nitroaniline (2683-43-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH300 (88.9%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, 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.
Hazard Classes and Categories	Acute Tox. 1 (88.9%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811 6.1/PG 3
R-Sätze (R)	20/21/22-36/37/38-51/53-33-26/27/28
Gefahrensymbole	Xn,N,T+
Sicherheitshinweise (S)	26-37/39-61-45-36/37-28
Gefahrenklasse	6.1Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Chronic 2STOT RE 2
Verpackungsgruppe	III
Lagerklasse	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

Anwendungen & Verwendung

Verwenden

2,4-Dichloro-6-nitroaniline was used to design a faster-reacting, more intensely fluorescent pH probe based on rhodamine spirolactam structure.