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1-Isocyanato-5,6,7,8-tetrahydronaphthalene

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Name

1-Isocyanato-5,6,7,8-tetrahydronaphthalene

EINECS
CAS No. 57235-17-3 Density 1.12 g/cm3
Solubility Melting Point
Formula C11H11NO Boiling Point 294.6 °C at 760 mmHg
Molecular Weight 173.21114 Flash Point 108.2 °C
Transport Information UN 2206 Appearance
Safety 23-26-36 Risk Codes 20/21/22-36/37/38-42
Molecular Structure Molecular Structure of 57235-17-3 (1-Isocyanato-5,6,7,8-tetrahydronaphthalene) Hazard Symbols HarmfulXn
Synonyms

1-ISOCYANATO-5 6 7 8-TETRAHYDRONAPHTHAL&;1-Isocyanato-5,6,7,8-tetrahydronaphathalene;Naphthalene, 1,2,3,4-tetrahydro-5-isocyanato- (9CI)

 

1-Isocyanato-5,6,7,8-tetrahydronaphthalene Specification

This chemical is called 1-Isocyanato-5,6,7,8-tetrahydronaphthalene, and its systematic name is 5-isocyanato-1,2,3,4-tetrahydronaphthalene. With the molecular formula of C11H11NO, its molecular weight is 173.21114. The CAS registry number of this chemical is 57235-17-3. Additionally, its product categories are Isocyanates; Nitrogen Compounds; Organic Building Blocks.

Other characteristics of the 1-Isocyanato-5,6,7,8-tetrahydronaphthalene can be summarised as followings: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.27; (5)ACD/BCF (pH 5.5): 1031.63; (6)ACD/BCF (pH 7.4): 1031.63; (7)ACD/KOC (pH 5.5): 4996.65; (8)ACD/KOC (pH 7.4): 4996.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 52.04 cm3; (15)Molar Volume: 154.5 cm3; (16)Polarizability: 20.63×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 53.42 kJ/mol; (21)Boiling Point: 294.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00161 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C=N\c1cccc2c1CCCC2
2.InChI: InChI=1/C11H11NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7H,1-2,4,6H2
3.InChIKey: CGGOJVMAVIDVMK-UHFFFAOYAM

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