3-Bromo-4-(dimethylamino)benzaldehyde

HCID 98641CAS 56479-63-1

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Basic information

Standard SMILES: CN(C)c1ccc(C=O)cc1Br
InChIKey: VWOYSIGIEVHTRQ-UHFFFAOYSA-N
Molecular formula: C9H10BrNO
Average molar mass: 228.09 g/mol
Monoisotopic mass: 226.99458

Names & identifiers

Preferred name: 3-Bromo-4-(dimethylamino)benzaldehyde
IUPAC: 3-bromo-4-(dimethylamino)benzaldehyde
English name: 3-bromo-4-dimethylamino-benzaldehyde
Molecular formula: C9H10BrNO
Molecular weight: 228.09

Names & synonyms

3-bromo-4-(dimethylamino)benzaldehyde56479-63-1Benzaldehyde, 3-bromo-4-(dimethylamino)-3-bromo-4-dimethylamino-benzaldehydeMFCD015936543-bromo-4-(N,N-dimethylamino)benzaldehyde3-bromo-p-dimethylaminobenzaldehydeNSC156555SCHEMBL456999CHEBI:60278DTXSID50205028ALBB-026450

Show more names

1001203-bromo-4-(dimethylamino)benzaldehyde(SALTDATA: FREE)

3-bromo-4-dimethylamino benzaldehydeBBL036237STL483219AKOS000113474NSC 156555NSC-1565553-bromo-4-(dimethylamino)-benzaldehydeVS-13378

Database identifiers

CAS: 56479-63-1
PubChem CID: 98641
DTXSID: DTXSID50205028
ChEBI: CHEBI:60278
Nikkaji: J1.358.641A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Physicochemical properties

Density: 1.468 · 1.468
refractive index: 1.626 · 1.626
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid
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
HS Code: 2922390090 · 2922390090

Safety & regulation

Safety data

hs_code: 2922390090
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