9-Acridinecarbonyl chloride

HCID 609960

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Basic information

CAS: 66074-67-7
Standard SMILES: O=C(Cl)c1c2ccccc2nc2ccccc12
InChIKey: POZJERCVPSQRFG-UHFFFAOYSA-N
Molecular formula: C14H8ClNO
Average molar mass: 241.67 g/mol
Monoisotopic mass: 241.02944156

Names & identifiers

Preferred name: 9-Acridinecarbonyl chloride
IUPAC: acridine-9-carbonyl chloride
English name: 9-Chlorocarbonylacridine
Molecular formula: C14H8ClNO
Molecular weight: 241.67

Names & synonyms

acridine-9-carbonyl chloride66074-67-79-Acridinecarbonyl chloride9-chlorocarbonylacridineMFCD080638729-acridinecarboxylic acid chloride9-acridinoyl chloride9-Chloroformylacridineacridine-9-carbonylchlorideAcridin-9-carbonyl chloride9-Acridinecarbonyl chloride #SCHEMBL642681

Show more names

SCHEMBL31026536DTXSID80346150Acetamide,N-[9-(aminosulfonyl)phenyl]-SY029766DB-3600759-Acridinecarbonyl chloride (7CI, 9CI, ACI)E83785F852083

Database identifiers

CAS: 66074-67-7
PubChem CID: 609960
DTXSID: DTXSID80346150
Nikkaji: J790.413D

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 285

Physicochemical properties

Melting point: 225 °C · 225 °C
Boiling point: 419.8 · 419.8±18.0 °C(Predicted)
Density: 1.363 · 1.363±0.06 g/cm3(Predicted)
pka: 1.49 · 1.49±0.10(Predicted)
InChI: InChI=1S/C14H8ClNO/c15-14(17)13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13/h1-8H
InChIKey: POZJERCVPSQRFG-UHFFFAOYSA-N
SMILES: C(Cl)(C1=C2C=CC=CC2=NC2C1=CC=CC=2)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338