CAS 77350-52-8 N,N-diethyl-4-iodobenzamide (HCID 875218)

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Basic information

CAS: 77350-52-8
Standard SMILES: CCN(CC)C(=O)c1ccc(I)cc1
InChIKey: GHOMPHXKTJFWCV-UHFFFAOYSA-N
Molecular formula: C11H14INO
Average molar mass: 303.14 g/mol
Monoisotopic mass: 303.01201207

Names & identifiers

Preferred name: N,N-diethyl-4-iodobenzamide
IUPAC: N,N-diethyl-4-iodobenzamide
English name: N,N-diethyl-4-iodobenzamide
Molecular formula: C11H14INO
Molecular weight: 303.14

Names & synonyms

N,N-diethyl-4-iodobenzamide77350-52-8DTXSID30358046RefChem:359047DTXCID60309102Benzamide, N,N-diethyl-4-iodo-MFCD022178724-Iodo-N,N-diethylbenzamideCambridge id 6166974SCHEMBL73928N,N-diethyl 4-iodo-benzamide4-Diethylcarbamoyl-1-iodobenzene

Show more names

N,N-diethyl-4-iodanyl-benzamideGHOMPHXKTJFWCV-UHFFFAOYSA-NHMS1585G06STK019680AKOS003360866BS-24462DA-41387E78284

Database identifiers

CAS: 77350-52-8
PubChem CID: 875218
DTXSID: DTXSID30358046
Nikkaji: J709.013G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 80 · 80-82 °C
Boiling point: 364.4 · 364.4±25.0 °C(Predicted)
Density: 1.517 · 1.517±0.06 g/cm3(Predicted)
pka: -1.36 · -1.36±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501