2-Chlor-5-nitrobenzaldehyd

2-Chloro-5-nitrobenzaldehyde

HCID 72933CAS 6361-21-3

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Grundinformationen

Standard-SMILES: O=Cc1cc([N+](=O)[O-])ccc1Cl
InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N
Summenformel: C7H4ClNO3
Durchschnittliche Molmasse: 185,56 g/mol
Monoisotopische Masse: 184,9879707

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-nitrobenzaldehyde
IUPAC: 2-chloro-5-nitrobenzaldehyde
Lokaler Name: 2-Chlor-5-nitrobenzaldehyd
Englischer Name: 2-Chloro-5-nitrobenzaldehyde
Summenformel: C7H4ClNO3
Molmasse: 185.56

Namen und Synonyme

2-Chloro-5-nitrobenzaldehyde6361-21-3Benzaldehyde, 2-chloro-5-nitro-3-Nitro-6-chlorobenzaldehydePF4ILL0I3HEINECS 228-830-05-nitro-2-chlorobenzaldehydeNSC 129753BRN 0743764NSC-129753DTXSID80222404-07-00-00609 (Beilstein Handbook Reference)

Weitere Namen anzeigen

KQFK TFAAKOS B022478ASISCHEM R37046AKOS BBS-00003267Chloro-5-nitrobenzaldehBelumosudil Impurity 282-Chlor-5-nitrobenzaldehyd2-CHLORO-5-NITROBENALDEHYDE2-Choro-5-Nitrobenzaldehyde

6-CHLORO-3-NITROBENZALDEHYDERefChem:469424DTXCID802240228-830-0MFCD000072932-chloro-5-nitro-benzaldehydeUNII-PF4ILL0I3HNSC129753

Datenbank-Bezeichner

CAS: 6361-21-3
PubChem CID: 72933
DTXSID: DTXSID8022240
UNII: PF4ILL0I3H
EC Number: 228-830-0
Nikkaji: J54.483C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 62,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Schmelzpunkt: 75 · 75-77 °C (lit.)
Siedepunkt: 276.5 °C · 276.5°C (rough estimate)
Dichte: 1.4791 · 1.4791 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Crystalline Powder
Farbe: Pale yellow
BRN: 743764 · 743764
InChI: InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N
SMILES: C(=O)C1=CC([N+]([O-])=O)=CC=C1Cl
CAS Datenbank: 6361 · 6361-21-3(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzaldehyde, 2-chloro-5-nitro- (6361-21-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.