2-Nitrobenzaldehyd

2-Nitrobenzaldehyde

HCID 11101CAS 552-89-6
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Grundinformationen

Standard-SMILES
O=Cc1ccccc1[N+](=O)[O-]
InChIKey
CMWKITSNTDAEDT-UHFFFAOYSA-N
Summenformel
C7H5NO3
Durchschnittliche Molmasse
151,12 g/mol
Monoisotopische Masse
151,02694302

Überblick

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

Namen und Bezeichner

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

Namen und Synonyme

2-NITROBENZALDEHYDE552-89-6o-NitrobenzaldehydeBenzaldehyde, 2-nitro-Benzaldehyde, o-nitro-2-Nitro-benzaldehydeortho-nitrobenzaldehydeDTXSID002206048B18Q9B8ENSC-5713CHEBI:66927CCRIS-2322
Weitere Namen anzeigen
2-nitro-benzaldehyd2-NBA2-Nitrobenzenecarboxaldehyde2-NitobenzaldehydeNSC 5713AKOS 938642-NitrobenzaLAKOS BBS-00003153
DTXCID002060RefChem:88705209-025-3Nitrobenzaldehyde2-FORMYLNITROBENZENEnitro benzaldehydeMFCD000071321-FORMYL-2-NITROBENZENE

Datenbank-Bezeichner

CAS
552-89-6
PubChem CID
11101
DTXSID
DTXSID0022060
ChEMBL
CHEMBL166559
ChEBI
CHEBI:66927
UNII
48B18Q9B8E
EC Number
209-025-3
Nikkaji
J1.615B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
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 Properties13C nuclear magnetic resonance spectrum
LogP1.74
Physical DescriptionPartially soluble in water (2.32 g/L at 25 deg C); [ChemIDplus] Yellow crystalline powder; [MSDSonline]
Ionization Efficiency · 6 Einträge

Positive

0.78

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt
42 · 42-44 °C(lit.)
Siedepunkt
153 °C23 · 153 °C23 mm Hg(lit.)
Dichte
1 · 1,284 g/cm3
Dampfdichte
5.2 · 5.2 (vs air)
Brechungsindex
1.58 · 1.5800 (estimate)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 120 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzaldehyde, 2-nitro-

Status: Active Update: 06-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11680

Restricted substance: o-Nitrobenzaldehyde

Benzaldehyde, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzaldehyde, 2-nitro-: Human health tier I assessment
Hazards SummaryAn irritant; [MSDSonline] See 3-Nitrobenzaldehyde.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

F
8
wgk
2
tsca
TSCA listed
hs_code
29130000
RTECS-Nr.
CU7300000
risk_code
22-36/37/38-68

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 2-nitro-: ACTIVE
Anwendungen · 2 Einträge

Beschreibung2-Nitrobenzaldehyde (2-NBA) is a multifunctional compound used in dyes, pharmaceuticals, food, and organic synthesis. Due to its distinctive yellow crystalline appearance, 2-NBA is used as an intermediate in the synthesis of indigo dyes. It is also used in the synthesis of 2-Nitrobenzyl-chitosan and nifedipine. Furthermore, 2-NBA can be used as a preservative in meat products, for the preservation of meat and food (preventing light damage), and has applications in the packaging industry.

Verwenden2-Nitrobenzaldehyde is a benzaldhyde with a nitro group substituted in the ortho position. 2-Nitrobenzaldehyde is used in the preparation of dyes and colorants such as Indigo carmine. 2-Nitrobenzaldehyde gas been shown to be a useful photoremovable protecting group as well as in the preparation of more effective ones such as o-Nitrophenylethylene glycol.

Darstellung

synthetische2-Nitrobenzaldehyde is synthesized from 2-Nitrotoluene by nitration and oxidation.Synthesis of 2-Nitrobenzaldehyde from 2-Nitrotoluene

Vor- und nachgelagerte Produkte

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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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-nitrobenzaldehyde is benzaldehyde substituted at the ortho-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes.

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