4-(Dimethylamino)-2-methoxybenzaldehyde

HCID 291350CAS 84562-48-1

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Basic information

Standard SMILES: COc1cc(N(C)C)ccc1C=O
InChIKey: HGDRXADJVGVGBC-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: 4-(Dimethylamino)-2-methoxybenzaldehyde
IUPAC: 4-(dimethylamino)-2-methoxybenzaldehyde
English name: 4-Dimethylamino-2-methoxybenzaldehyde
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

4-(dimethylamino)-2-methoxybenzaldehydeRefChem:515932677-050-084562-48-14-DIMETHYLAMINO-2-METHOXYBENZALDEHYDEMFCD001518144-(dimethylamino)-2-methoxy-benzaldehydeBenzaldehyde, 4-(dimethylamino)-2-methoxy-2-methoxy-4-dimethylaminobenzaldehydeNSC1565444-dimethylamino-2-methoxy-benzaldehydeSCHEMBL154497

Show more names

NSC 156544

4-Dimethylamino-o-anisaldehydeSCHEMBL7280865DTXSID90303077AKOS015850832NSC-156544AS-65636FM168105SY317423

Database identifiers

CAS: 84562-48-1
PubChem CID: 291350
DTXSID: DTXSID90303077
EC Number: 677-050-0
Nikkaji: J1.234.232B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 58 · 58-60°C
Boiling point: 150 · 150-152 °C(Press: 0.1 Torr)
Density: 1.098 · 1.098±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: 0.32 g/L · Slightly soluble 0.32 g/L at 25°C.
pka: 1.34 · 1.34±0.22(Predicted)
Appearance: Off-white to light brown Solid
Sensitive: Air Sensitive
BRN: 2719181 · 2719181
CAS DataBase Reference: 84562 · 84562-48-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.