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1,5-Naphthalenediol,1,2,3,4-tetrahydro- (40771-26-4)

Identification
Name:1,5-Naphthalenediol,1,2,3,4-tetrahydro-
Synonyms:1,5-Naphthalenediol,5,6,7,8-tetrahydro- (6CI);(RS)-1,5-Dihydroxytetralin;1,2,3,4-Tetrahydro-1,5-dihydroxynaphthalene;1,2,3,4-Tetrahydronaphthalene-1,5-diol;1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene;1,5-Dihydroxytetralin;5,6,7,8-Tetrahydro-1,5-dihydroxynaphthalene;NSC 96982;
CAS:40771-26-4
EINECS: 255-070-7
Molecular Formula: C10H12O2
Molecular Weight: 164.2
InChI: InChI=1/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,10-12H,2,4,6H2/t10-/m0/s1
Molecular Structure: (C10H12O2) 1,5-Naphthalenediol,5,6,7,8-tetrahydro- (6CI);(RS)-1,5-Dihydroxytetralin;1,2,3,4-Tetrahydro-1,5-dihy...
Properties
Melting Point: 132-134 °C(lit.)
Flash Point: 162.4°C
Boiling Point: 325.9°Cat760mmHg
Density:1.246g/cm3
Refractive index:1.624
Specification:

The 1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene with cas registry number of 40771-26-4, is also named 1,5-Naphthalenediol,5,6,7,8-tetrahydro- (6CI); (RS)-1,5-Dihydroxytetralin.

Physical properties of 1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.9; (6)ACD/BCF (pH 7.4): 5.89; (7)ACD/KOC (pH 5.5): 123.97; (8)ACD/KOC (pH 7.4): 123.85; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 46.51 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 18.43×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Enthalpy of Vaporization: 59.97 kJ/mol; (19)Vapour Pressure: 9.08E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: (1)SMILES:Oc1cccc2c1CCCC2O; (2)InChI:InChI=1/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,10-12H,2,4,6H2; (3)InChIKey:MYIDTCFDQGAVFL-UHFFFAOYAQ; (4)Std. InChI:InChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,10-12H,2,4,6H2; (5)Std. InChIKey:MYIDTCFDQGAVFL-UHFFFAOYSA-N.

Flash Point: 162.4°C
Safety Data
Hazard Symbols Xi: Irritant
 

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