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(R)-(-)-1-Indanyl isothiocyanate

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Name

(R)-(-)-1-Indanyl isothiocyanate

EINECS N/A
CAS No. 737000-97-4 Density 1.16 g/cm3
PSA 44.45000 LogP 2.77670
Solubility N/A Melting Point N/A
Formula C10H9NS Boiling Point 309.5 °C at 760 mmHg
Molecular Weight 175.25 Flash Point 146.4 °C
Transport Information UN 2810 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 737000-97-4 ((R)-(-)-1-Indanyl isothiocyanate) Hazard Symbols N/A
Synonyms

(1R)-1-Isothiocyanato-2, 3-dihydro-1H-indene;

 

(R)-(-)-1-Indanyl isothiocyanate Specification

The (R)-(-)-1-Indanyl isothiocyanate has the CAS registry number of 737000-97-4. This chemical's molecular formula is C10H9NS and molecular weight is 175.25. What's more, its systematic name is (1R)-1-Isothiocyanato-2, 3-dihydro-1H-indene.

Physical properties about (R)-(-)-1-Indanyl isothiocyanate are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.49; (6)ACD/BCF (pH 7.4): 150.49; (7)ACD/KOC (pH 5.5): 1259.71; (8)ACD/KOC (pH 7.4): 1259.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 53.91 cm3; (15)Molar Volume: 149.8 cm3; (16)Polarizability: 21.37×10-24 cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 146.4 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 309.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00116 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: S=C=N\[C@H]2c1ccccc1CC2
(2) InChI: InChI=1/C10H9NS/c12-7-11-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-6H2/t10-/m1/s1
(3) InChIKey: YQGGEOQEFFXRLO-SNVBAGLBBY

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