5-Chlor-2-nitroanilin

5-Chloro-2-nitroaniline

HCID 74218CAS 1635-61-6

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Grundinformationen

Standard-SMILES: Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: ZCWXYZBQDNFULS-UHFFFAOYSA-N
Summenformel: C6H5ClN2O2
Durchschnittliche Molmasse: 172,57 g/mol
Monoisotopische Masse: 172,00395508

Namen und Bezeichner

Bevorzugter Name: 5-Chloro-2-nitroaniline
IUPAC: 5-chloro-2-nitroaniline
Lokaler Name: 5-Chlor-2-nitroanilin
Englischer Name: 5-Chloro-2-nitroaniline
Summenformel: C6H5ClN2O2
Molmasse: 172.57

Namen und Synonyme

5-Chloro-2-nitroaniline1635-61-6Benzenamine, 5-chloro-2-nitro-2-Nitro-5-chloroaniline3-Chloro-6-nitroaniline5-chloro-2-nitrobenzenamineAniline, 5-chloro-2-nitro-5-Chloro-2-nitrobenzeneamine5-chloro-2-nitrophenylamine5-chlor-2-nitroanilinCCRIS 8934UNII-656XJM4CON

Weitere Namen anzeigen

oro-2-nitroaniLTIMTEC-BB SBB0038285-Chloro-2-nitroamilineAtorvastatin Impurity 146

EINECS 216-661-5656XJM4CONNSC 4008662-amino-4-chloro-1-nitrobenzeneNSC-4008661-NITRO-2-AMINO-4-CHLOROBENZENEDTXSID201676045-CHLORO,2-NITRO-ANILINE

Datenbank-Bezeichner

CAS: 1635-61-6
PubChem CID: 74218
DTXSID: DTXSID20167604
UNII: 656XJM4CON
EC Number: 216-661-5
Nikkaji: J140.783J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125-129 °C (dec.)(lit.)
Siedepunkt: 200 °C · 200°C (rough estimate)
Dichte: 1.561 · 1.5610 (rough estimate)
Brechungsindex: 1.587 · 1.5870 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Chloroform, Methanol
Aggregatzustand: Liquid
pka: -1.46 · -1.46±0.25(Predicted)
Farbe: Clear colorless to light yellow
BRN: 2210201 · 2210201
InChI: InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
InChIKey: ZCWXYZBQDNFULS-UHFFFAOYSA-N
SMILES: C1(N)=CC(Cl)=CC=C1[N+]([O-])=O
CAS Datenbank: 1635 · 1635-61-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H300 (96.4%): 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 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Gefahrenhinweise

Regulatory Information5-Chloro-2-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Acute Tox. 2 (96.4%)

Self-reactive substances and mixtures - Type G

Sicherheitsdaten

F: 9-23
wgk: 3
ridadr: UN 2237 6.1/PG 3
hs_code: 29214210
risk_code: 26/27/28-33-51/53
hazard_code: T+,N,T
hazard_note: Irritant
safety_code: 28-36/37-45-61-28A
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2

Chemie und Industrie

Anwendungen

Verwenden5-Chloro-2-nitroaniline is a useful synthetic intermediate. It can be used as a reagent to synthesize benzamide derivatives as histone deacetylase inhibitors. It is an intermediate used to synthesize 1-Nitro Febantel a Febantel impurity.