4-Methyl-3-nitrobenzoylchlorid

4-Methyl-3-nitrobenzoyl chloride

HCID 66323CAS 10397-30-5

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Grundinformationen

Standard-SMILES: Cc1ccc(C(=O)Cl)cc1[N+](=O)[O-]
InChIKey: DXMHBBURYDVYAI-UHFFFAOYSA-N
Summenformel: C8H6ClNO3
Durchschnittliche Molmasse: 199,59 g/mol
Monoisotopische Masse: 199,00362073

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-3-nitrobenzoyl chloride
IUPAC: 4-methyl-3-nitrobenzoyl chloride
Lokaler Name: 4-Methyl-3-nitrobenzoylchlorid
Englischer Name: 4-Methyl-3-nitrobenzoyl chloride
Summenformel: C8H6ClNO3
Molmasse: 199.59

Namen und Synonyme

4-Methyl-3-nitrobenzoyl chloride10397-30-53-Nitro-p-toluyl chlorideEINECS 233-858-1Benzoyl chloride, 4-methyl-3-nitro-DTXSID20146171RefChem:99777DTXCID4068662233-858-1DXMHBBURYDVYAI-UHFFFAOYSA-N4-Methyl-3-nitrobenzoylchloride3-Nitro-p-toluoyl chloride

Weitere Namen anzeigen

SKL1285TIMTEC-BB SBB0079674-Methyl-3-nitrobenz3-NITRO-4-METHYLBENZOYLCHLORIDE4-METHYL-3-NITROBENZOYL CHLORIDE 99%4-METHYL-3-NITROBENZOYL CHLORIDE / 3-NITRO-P-TOLUYL CHLORIDE

MFCD000357474-methyl-3-nitro-benzoyl chloridep-Methyl-m-nitrobenzoylchloridSCHEMBL242546YRS5H97K47SCHEMBL302705764-methyl-3 nitrobenzoyl chlorideSBB007967

Datenbank-Bezeichner

CAS: 10397-30-5
PubChem CID: 66323
DTXSID: DTXSID20146171
UNII: YRS5H97K47
EC Number: 233-858-1
Nikkaji: J32.746H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 62,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 226

Physikochemische Eigenschaften

Schmelzpunkt: 20 · 20-21 °C(lit.)
Siedepunkt: 185 °C36 · 185 °C36 mm Hg(lit.)
Dichte: 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.581(lit.)
Flammpunkt: 230 °F · >230 °F
Aggregatzustand: liquid
InChI: 1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3
InChIKey: DXMHBBURYDVYAI-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1[N+]([O-])=O)C(Cl)=O
CAS Datenbank: 10397 · 10397-30-5(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Methyl-3-nitrobenzoyl chloride(10397-30-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2916399090
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Methyl-3-nitrobenzoyl chloride was used in the synthesis of 4-amino-1,5-naphthalenedisulphonate acid monosodium salt, an intermediate employed in the synthesis of modified suramin molecule.It may be used in the synthesis of the following:benzophenone derivativesubstituted 3-amino-4-methyl-N-phenylbenzamideretroamide4-methyl-3-nitro-N-phenylbenzamide