4-(Dimethylamino)benzoyl chloride

HCID 4400782

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Grundinformationen

CAS: 4755-50-4
Standard-SMILES: CN(C)c1ccc(C(=O)Cl)cc1
InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N
Summenformel: C9H10ClNO
Durchschnittliche Molmasse: 183,63 g/mol
Monoisotopische Masse: 183,04509162

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)benzoyl chloride
IUPAC: 4-(dimethylamino)benzoyl chloride
Englischer Name: 4-Dimethylaminobenzoyl chloride
Summenformel: C9H10ClNO
Molmasse: 183.63

Namen und Synonyme

4-(Dimethylamino)benzoyl chloride4755-50-4Benzoyl chloride, 4-(dimethylamino)-RefChem:97440628-343-7924-821-74-Dimethylaminobenzoyl ChlorideMFCD002360394-(dimethylamino)benzoylchloridep-dimethylaminobenzoyl chlorideDTXSID309638714-dimethylaminobenzoic acid chloride

Weitere Namen anzeigen

DMABCp-(Dimethylamino)benzoyl chlorideBenzoyl chloride,4-(diMethylaMino)-4-(Dimethylamino)benzoyl chloride 97%4-(Dimethylamino)benzoyl chloride,97%4-(N,N-Dimethylamino)benzoyl chloride4-(Dimethylamino)benzoic acid chloride4-(Dimethylamino)benzoyl chloride, 95%, 95%[4-(diMethylaMino)phenyl]carbonylchloranuide

STR07888AKOS009157394F161724-(Dimethylamino)-benzoyl chloride(Carboxymethyl)trimethyl-p-Dimethylaminobenzoylchlorid4-dimethyaminobenzoyl chlorideSCHEMBL103335

Datenbank-Bezeichner

CAS: 4755-50-4
PubChem CID: 4400782
DTXSID: DTXSID30963871
EC Number: 628-343-7、924-821-7
Nikkaji: J32.742E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-149 °C(lit.)
Siedepunkt: 180 ℃ · 180℃ (15 Torr)
Dichte: 1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.: RT, stored under nitrogen
Aggregatzustand: powder
pka: 0.98 · 0.98±0.12(Predicted)
Farbe: Faint brown
Wasserlöslichkeit: Reacts with water.
BRN: 1100858 · 1100858
InChI: 1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(Cl)=O
CAS Datenbank: 4755 · 4755-50-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29224999
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden4-Dimethylaminobenzoyl chloride is used to make other chemicals. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.