ChemicalBook--->CAS DataBase List--->53440-12-3

53440-12-3

53440-12-3 Structure

53440-12-3 Structure
IdentificationBack Directory
[Name]

1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID
[CAS]

53440-12-3
[Synonyms]

NSC 408608
TETRALIN-2-CARBOXYLIC ACID
1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID
1,2,3,4-Tetrahydro-2-naphthoic acid 98%
1,2,3,4-Tetrahydro-2-naphthoic acid,98%
2-Carboxy-1,2,3,4-tetrahydronaphthalene
1,2,3,4-TETRAHYDRO-2-NAPHTHALENECARBOXYLIC ACID
2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-
(2R)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
(RS)-1,2,3,4-Tetrahydronaphthalene-2-carboxylic acid
1,2,3,4-Tetrahydro-2-naphthoic acid,Tetralin-2-carboxylic acid
[EINECS(EC#)]

258-553-0
[Molecular Formula]

C11H12O2
[MDL Number]

MFCD00001741
[MOL File]

53440-12-3.mol
[Molecular Weight]

176.21
Chemical PropertiesBack Directory
[Melting point ]

93-96 °C (lit.)
[Boiling point ]

267.83°C (rough estimate)
[density ]

1.0558 (rough estimate)
[refractive index ]

1.5425 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[pka]

4.57±0.20(Predicted)
[Appearance]

White to off-white Solid
[BRN ]

2050435
[InChI]

InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)
[InChIKey]

NTAGXJQHJQUOOA-UHFFFAOYSA-N
[SMILES]

C1C2=C(C=CC=C2)CCC1C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

1,2,3,4-Tetrahydro-2-naphthoic Acid is used as a reagent in organic synthesis of several compounds including that of N-acyl-5-methyl-3(2H)-isoxazolone derivatives which show high potential as fungicides.
Spectrum DetailBack Directory
[Spectrum Detail]

1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID(53440-12-3)1HNMR
1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID(53440-12-3)FT-IR
1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID(53440-12-3)IR
1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID(53440-12-3)Raman
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