2-Aminobenzaldehyd

2-Aminobenzaldehyde

HCID 68255CAS 529-23-7

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Grundinformationen

Standard-SMILES: Nc1ccccc1C=O
InChIKey: FXWFZIRWWNPPOV-UHFFFAOYSA-N
Summenformel: C7H7NO
Durchschnittliche Molmasse: 121,14 g/mol
Monoisotopische Masse: 121,05276384

Überblick

2-Aminobenzaldehyde has been reported in Hebeloma sacchariolens, Robinia pseudoacacia, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Aminobenzaldehyde
IUPAC: 2-aminobenzaldehyde
Lokaler Name: 2-Aminobenzaldehyd
Englischer Name: 2-Aminobenzaldehyde
Summenformel: C7H7NO
Molmasse: 121.14

Namen und Synonyme

2-Aminobenzaldehyde529-23-7o-AminobenzaldehydeAnthranilaldehydeEG769PG2AXOrtho aminobenzaldehydeDTXSID6060183RefChem:85363DTXCID4041317208-454-3Benzaldehyde, 2-amino-2-Formylaniline

Weitere Namen anzeigen

2-amino-benzaldehydAmbroxol Imp.142-AminobenzaldeyhdeBenzaldehyde,2-amino-Bromhexine Impurity 11

MFCD000077092-amino-benzaldehydeaminobenzaldehydeO-amino benzaldehydeAmbroxol Impurity 43anthranil aldehydeEINECS 208-454-3aniline, 2-formyl-

Datenbank-Bezeichner

CAS: 529-23-7
PubChem CID: 68255
DTXSID: DTXSID6060183
UNII: EG769PG2AX
EC Number: 208-454-3
Nikkaji: J6.682F、J662.592D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 38 °C · 38°C
Siedepunkt: 225.84 °C · 225.84°C (rough estimate)
Dichte: 1.1344 · 1.1344 (rough estimate)
Brechungsindex: 1.5323 · 1.5323 (estimate)
Flammpunkt: 113 °C · 113 °C
storage temp.: -20 °C · -20°C
pka: -0.01 · -0.01±0.10(Predicted)
Aggregatzustand: Low Melting Solid
Farbe: White to yellow
Stabilität: -20 C · Unstable: reported to polymerize rapidly at room temperature. Incompatible with strong oxidizing agents, strong bases. Store at -20 C.
InChI: InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
InChIKey: FXWFZIRWWNPPOV-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC=C1N
LogP: 1.08 · 1.080 (est)
CAS Datenbank: 529 · 529-23-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Aminobenzaldehyde(529-23-7)
EPA chemische Informationen: 2 · Benzaldehyde, 2-amino- (529-23-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 8-10-23
wgk: 3
tsca: TSCA listed
hs_code: 29223990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 2-amino-: INACTIVE

Anwendungen · 1 Eintrag

VerwendenReactant for:Preparation of quinoline derivatives as antiviral agentsPreparation of electroluminescent materials for OLEDsFriedlander-type synthesisPreparation of 2-tosylaminophenyl cyclopropylmethanols for gold-catalyzed cyclopropyl carbinol rearrangementBenzyl C-H bond amination of arylmethylamines catalyzed by hydroxy-TEMPOSilver-catalyzed aniline mediated cascade hydroamination/cycloaddition reactions