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CAS No.: | 35275-62-8 |
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Name: | 1-chloroindan |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C9H9Cl |
Molecular Weight: | 152.623 |
Synonyms: | Indan,1-chloro- (6CI);1-Chloro-2,3-dihydroindene;1-Chloroindan;1-Chloroindane;1-Indanyl chloride;a-Chlorindane; |
EINECS: | 252-480-8 |
Density: | 1.15 g/cm3 |
Boiling Point: | 228.5 °C at 760 mmHg |
Flash Point: | 76.2 °C |
PSA: | 0.00000 |
LogP: | 2.91270 |
The 1H-Indene,1-chloro-2,3-dihydro-, with the CAS registry number 35275-62-8 and EINECS registry number 252-480-8, has the systematic name and IUPAC name of 1-chloro-2,3-dihydro-1H-indene. It belong to the product category of Pharmacetical, and the molecular formula of the chemical is C9H9Cl.
The characteristics of 1H-Indene,1-chloro-2,3-dihydro- are as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.22; (6)ACD/BCF (pH 7.4): 129.22; (7)ACD/KOC (pH 5.5): 1129.55; (8)ACD/KOC (pH 7.4): 1129.55; (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: 1.57; (14)Molar Refractivity: 43.4 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 17.2×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 76.2 °C; (20)Enthalpy of Vaporization: 44.62 kJ/mol; (21)Boiling Point: 228.5 °C at 760 mmHg; (22)Vapour Pressure: 0.11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC2c1ccccc1CC2
(2)InChI: InChI=1/C9H9Cl/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
(3)InChIKey: WLJXUWKOEVKMGD-UHFFFAOYAQ