4-Nitrobenzaldehyd

4-Nitrobenzaldehyde

HCID 541CAS 555-16-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=Cc1ccc([N+](=O)[O-])cc1
InChIKey
BXRFQSNOROATLV-UHFFFAOYSA-N
Summenformel
C7H5NO3
Durchschnittliche Molmasse
151,12 g/mol
Monoisotopische Masse
151,02694302

Überblick

4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a member of benzaldehydes and a C-nitro compound.

Namen und Bezeichner

Bevorzugter Name
4-Nitrobenzaldehyde
IUPAC
4-nitrobenzaldehyde
Lokaler Name
4-Nitrobenzaldehyd
Englischer Name
4-Nitrobenzaldehyde
Summenformel
C7H5NO3
Molmasse
151.12

Namen und Synonyme

4-nitrobenzaldehyde555-16-8p-NitrobenzaldehydeBenzaldehyde, 4-nitro-p-FormylnitrobenzeneBenzaldehyde, p-nitro-DTXSID5022061para-nitrobenzaldehydeNX859P8MB0CHEBI:66926NSC-6103CCRIS-1675
Weitere Namen anzeigen
4-FORMYLNITROBENZENE4-NitrobenzaLobenzaldehyde-D5AKOS BBS-000032064-nitro-benzaldehydp-nitro-benzaldehydNITROBENZALDEHYDE 4-
DTXCID402061RefChem:100037209-084-54-Nitro-benzaldehydeMFCD00007346CCRIS 1675EINECS 209-084-5p-nitro benzaldehyde

Datenbank-Bezeichner

CAS
555-16-8
PubChem CID
541
DTXSID
DTXSID5022061
ChEMBL
CHEMBL164236
ChEBI
CHEBI:66926
UNII
NX859P8MB0
EC Number
209-084-5
Nikkaji
J1.618G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
62,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesChemical shift
Vapor Pressure0.00354 [mmHg]
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]
Ionization Efficiency · 6 Einträge

Positive

-0.09

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt
103 · 103-106 °C(lit.)
Siedepunkt
273.1 °C · 273.1°C (rough estimate)
Dichte
1 · 1,496 g/cm3
Brechungsindex
1.58 · 1.5800 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
2.34 g/l · 2.34g/l

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (35.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, 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 68 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzaldehyde, 4-nitro-

Status: Active Update: 25-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23721

Benzaldehyde, 4-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes somnolence, cyanosis, normocytic anemia, tetany, and dyspnea in oral lethal-dose studies of rats; [RTECS] An irritant; May cause skin sensitization, based on QSAR modeling; Prolonged or repeated exposure may cause narcosis; [Sigma-Aldrich MSDS] See Nitrobenzene and Benzaldehyde. See 3-Nitrobenzaldehyde.

Hazard Classes and CategoriesSkin Irrit. 2 (35.3%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29130000
RTECS-Nr.
CU7350000
risk_code
36-43-52/53-36/37/38-68
Toxizität
LD50 orally in Rabbit: 4700 mg/kg LD50 dermal Rat 16000 mg/kg

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 4-nitro-: ACTIVE

Anwendungen

Verwenden4-Nitrobenzaldehyde is a benzaldehyde with a nitro group in the para position. It is used as a reagent in decarboxylative aldol reactions that are catalyzed by lipases and proteases in organic co-solvent mixtures.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes.

Zugehörige Reaktionen

610
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…