4-Dimethylamino-1-naphthaldehyde

HCID 608052

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Basic information

CAS: 1971-81-9
Standard SMILES: CN(C)c1ccc(C=O)c2ccccc12
InChIKey: XCQFZIFIUMBSAO-UHFFFAOYSA-N
Molecular formula: C13H13NO
Average molar mass: 199.25 g/mol
Monoisotopic mass: 199.09971404

Names & identifiers

Preferred name: 4-Dimethylamino-1-naphthaldehyde
IUPAC: 4-(dimethylamino)naphthalene-1-carbaldehyde
English name: 4-DIMETHYLAMINO-1-NAPHTHALDEHYDE
Molecular formula: C13H13NO
Molecular weight: 199.25

Names & synonyms

1971-81-94-Dimethylamino-1-naphthaldehydeDTXSID10345919RefChem:98763DTXCID10296992634-974-9XCQFZIFIUMBSAO-UHFFFAOYSA-N4-(Dimethylamino)-1-naphthaldehyde4-(dimethylamino)naphthalene-1-carbaldehyde4-(Dimethylamino);-1-naphthaldehydeMFCD000103711-Naphthalenecarboxaldehyde, 4-(dimethylamino)-

Show more names

TIMTEC-BB SBB0003874-DiMethylaMino-1-naphthaldehyde 97%4-dimethylamino-1-naphthalenealdehyde1-Naphthalenecarboxaldehyde,4-(dimethylamino)-

4-(dimethylamino)-1-naphthalenecarboxaldehydeSCHEMBL346454SCHEMBL29708057AKOS0240151574-Dimethylamino-1-naphthaldehyde, 97%4-dimethylaminonaphthalene-1-carbaldehydeAS-675854-dimethylamino-naphthalene-1-carbaldehyde

Database identifiers

CAS: 1971-81-9
PubChem CID: 608052
DTXSID: DTXSID10345919
EC Number: 634-974-9
Nikkaji: J309.023J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 43 · 43-45 °C(lit.)
Boiling point: 160 · 160-165 °C(Press: 6 Torr)
Density: 1.15 · 1.150
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0 · 0+-.0.40(Predicted)
InChI: 1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
InChIKey: XCQFZIFIUMBSAO-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=O)c2ccccc12
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.