5-Chlor-2-nitrobenzaldehyd

5-Chloro-2-nitrobenzaldehyde

HCID 81123CAS 6628-86-0

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Grundinformationen

Standard-SMILES: O=Cc1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: SWGPIDCNYAYXMJ-UHFFFAOYSA-N
Summenformel: C7H4ClNO3
Durchschnittliche Molmasse: 185,56 g/mol
Monoisotopische Masse: 184,9879707

Namen und Bezeichner

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

Namen und Synonyme

5-Chloro-2-nitrobenzaldehyde6628-86-02-Nitro-5-chlorobenzaldehydeBenzaldehyde, 5-chloro-2-nitro-EINECS 229-614-98RDX889QNB3-chloro-6-nitrobenzaldehydeNSC-59734DTXSID40216486NSC 59734RefChem:534615DTXCID40138977

Weitere Namen anzeigen

oro-2-nitrobenzaLBenzaldehyde, 5-cTIMTEC-BB SBB0037134-Chloro-2-formylnitrobenzene2-Nirtro -5-chlorobenzaldehyde5-Chloro-2-nitrobenzaldehyde>5-Chloro-2-nitrobenzaldehyde,97%

229-614-95-chloro-2-nitro-benzaldehydeMFCD00007289SCHEMBL403125-chloro-2-nitro benzoaldehydeZ1236003426NSC59734SCHEMBL8761094

Datenbank-Bezeichner

CAS: 6628-86-0
PubChem CID: 81123
DTXSID: DTXSID40216486
UNII: 8RDX889QNB
EC Number: 229-614-9
Nikkaji: J60.296E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
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: 65 · 65-69 °C (lit.)
Siedepunkt: 310.2 · 310.2±27.0 °C(Predicted)
Dichte: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Powder
Farbe: Yellow
BRN: 1910197 · 1910197
InChI: 1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChIKey: SWGPIDCNYAYXMJ-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(Cl)ccc1[N+]([O-])=O
CAS Datenbank: 6628 · 6628-86-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (95.1%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.1%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: UN3077 9/PG 3
hs_code: 29130000
risk_code: 36/37/38-43-34-14/15-50/53
hazard_code: Xi,C,F,N
hazard_note: Irritant
safety_code: 22-24/25-36/37-26-45-43-36/37/39-36-7/8-61
hazard_class: 9
packing_group: Ⅲ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Met. Corr. 1Skin Irrit. 2Skin Sens. 1