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93951-84-9

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Basic Information
CAS No.: 93951-84-9
Name: 2-CHLORONAPHTHALENE (D7)
Molecular Structure:
Molecular Structure of 93951-84-9 (2-CHLORONAPHTHALENE (D7))
Formula: C10ClD7
Molecular Weight: 169.66
Synonyms: 2-Chloro(2H7)naphthalene;naphthalene-1,2,3,4,5,6,8-d7, 7-chloro-;
Density: 1.252 g/cm3
Boiling Point: 255.999 °C at 760 mmHg
Flash Point: 115.165 °C
PSA: 0.00000
LogP: 3.49320
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Specification

The 2-Chloronaphthalene-D7, with the CAS registry number 93951-84-9, has the systematic name of 2-Chloro(2H7)naphthalene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10ClD7.

The characteristics of 2-Chloronaphthalene-D7 are as followings: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.027; (4)ACD/LogD (pH 7.4): 4.027; (5)ACD/BCF (pH 5.5): 677.427; (6)ACD/BCF (pH 7.4): 677.427; (7)ACD/KOC (pH 5.5): 3697.714; (8)ACD/KOC (pH 7.4): 3697.714; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 48.99 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 19.421×10-24cm3; (17)Surface Tension: 42.998 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 115.165 °C; (20)Enthalpy of Vaporization: 47.356 kJ/mol; (21)Boiling Point: 255.999 °C at 760 mmHg; (22)Vapour Pressure: 0.025 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])Cl)[2H])[2H])[2H]
(2)InChI: InChI=1/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
(3)InChIKey: CGYGETOMCSJHJU-GSNKEKJEED