3-(Dimethylamino)benzaldehyde

HCID 34288

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Basic information

CAS: 619-22-7
Standard SMILES: CN(C)c1cccc(C=O)c1
InChIKey: WUJQTKBVPNTQLU-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Names & identifiers

Preferred name: 3-(Dimethylamino)benzaldehyde
IUPAC: 3-(dimethylamino)benzaldehyde
English name: 3-(Dimethylamino)benzaldehyde
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

3-(dimethylamino)benzaldehyde619-22-7DTXSID40275093RefChem:495052DTXCID00226541976-608-3MFCD05148649m-dimethylaminobenzaldehyde3-N,N-DimethylbenzaldehydeSCHEMBL1039994AKOS005266424CS-0028225

Show more names

VinylBenzoate（Assumed）Benzaldehyde, m-(dimethylamino)-3-(N,N-Dimethylamino)benzaldehyde3-(Dimethylamino)benzaldehyde 95%

EN300-221463F168763-dimethylaminobenzaldehydeBenzaldehyde, 3-(dimethylamino)-3-(dimethylamino)benzaldehy3-dimethylamino-benzaldehydeA8334853-(Dimethyl-amino)benzaldehyde

Database identifiers

CAS: 619-22-7
PubChem CID: 34288
DTXSID: DTXSID40275093
EC Number: 976-608-3
Nikkaji: J76.656I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 137.5 · 137.5-138 °C
Density: 1.072 · 1.072±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.67 · 3.67±0.10(Predicted)
form: liquid
color: Yellow
InChI: 1S/C9H11NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-7H,1-2H3
InChIKey: WUJQTKBVPNTQLU-UHFFFAOYSA-N
SMILES: N(C)(C)c1cc(ccc1)C=O
UNSPSC Code: 12352100 · 12352100
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
WGK Germany: 3 · WGK 3
HS Code: 2922390090 · 2922390090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
hs_code: 2922390090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications · 1 item

Uses3-(Dimethylamino)benzaldehyde can be used as a staining agent for identifying non-specific esterase activity in cells. This application is crucial in medical and biological research, as it aids in the detection and analysis of cellular processes and functions.