ChemicalBook--->CAS DataBase List--->3453-33-6

3453-33-6

3453-33-6 Structure

3453-33-6 Structure
IdentificationMore
[Name]

6-Methoxy-2-naphthaldehyde
[CAS]

3453-33-6
[Synonyms]

6-METHOXY-2-NAPHTHALDEHYDE
ASINEX-REAG BAS 07663025
LABOTEST-BB LT01147524
TIMTEC-BB SBB010060
6-methoxy-2-naphthalaldehyde
6-methoxynaphthalene-2-carbaldehyde
6-Methoxy-2-Naphtaldehyde
6-Methoxy-2-naphthaldehyde,99%
6-METHOXY-2-NAPHTHALDEHYDENABUMETONE
6-Methoxy-2-naphthaldehyde ,98%
6-Methoxy-2-naphthalenecarbaldehyde
[EINECS(EC#)]

222-377-2
[Molecular Formula]

C12H10O2
[MDL Number]

MFCD00081152
[Molecular Weight]

186.21
[MOL File]

3453-33-6.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to beige-yellow crystals or crystalline
[Melting point ]

81-84 °C(lit.)
[Boiling point ]

196 °C / 10mmHg
[density ]

1.169±0.06 g/cm3(Predicted)
[vapor pressure ]

0.022Pa at 25℃
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Sonicated)
[form ]

powder to crystal
[color ]

White to Light yellow to Light orange
[Water Solubility ]

150.1mg/L at 25℃
[Sensitive ]

Air Sensitive
[Detection Methods]

HPLC,NMR
[BRN ]

1945989
[InChI]

InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3
[InChIKey]

VZBLASFLFFMMCM-UHFFFAOYSA-N
[SMILES]

C1=C2C(C=C(OC)C=C2)=CC=C1C=O
[LogP]

2.97 at 25℃
[CAS DataBase Reference]

3453-33-6(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29124990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Acetic acid-->N,N-Dimethylformamide-->Bromine-->n-Butyllithium-->Tin-->2-Methoxynaphthalene
[Preparation Products]

6-Methoxy-2-vinylnaphthalene-->6-Hydroxy-2-naphthaldehyde-->6-Methoxy-2-Acetyl Naphthalene-->NABUMETONE RELATED COMPOUND A (15 MG) (1-(6-METHOXY-2-NAPHTHYL)-BUT-1-EN-3-ONE)-->(6-methoxynaphthalen-2-yl)methanamine-->2,2,2-Trifluoro-1-(6-methoxy-naphthalen-2-yl)-ethanone
Hazard InformationBack Directory
[Chemical Properties]

yellow to beige-yellow crystals or crystalline
[Uses]

6-Methoxy-2-naphthaldehyde is used as a diagnostic reagent in tumor studies involving aldehyde dehydrogenase enzymes. In addition it is used in organic synthesis reactions forming fluoresce nt substrates for inhibition studies relating to hypertension and vascular inflammation.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 53, p. 4587, 1988 DOI: 10.1021/jo00254a035
[General Description]

6-Methoxy-2-naphthaldehyde can be prepared by reacting 2-bromo 6-methoxy naphthalene with triethylorthoformate via Grignard reaction. Its crystals belong to the orthorhombic space group, P212121 and shows excellent NLO (non-linear optical) property.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

6-Methoxy-2-naphthaldehyde(3453-33-6)1HNMR
6-Methoxy-2-naphthaldehyde(3453-33-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Methoxy-2-naphthaldehyde, 98%(3453-33-6)
[Alfa Aesar]

6-Methoxy-2-naphthaldehyde, 99%(3453-33-6)
[Sigma Aldrich]

3453-33-6(sigmaaldrich)
[TCI AMERICA]

6-Methoxy-2-naphthaldehyde,>97.0%(GC)(3453-33-6)
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