Products Categories
CAS No.: | 58749-51-2 |
---|---|
Name: | 2-(THIEN-2-YL)ETHYL ISOCYANATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H7NOS |
Molecular Weight: | 153.205 |
Synonyms: | 2-(2-isocyanatoethyl)thiophene;2-(Thien-2-yl)ethyl isocyanate;2-(Thiophen-2-yl)ethyl isocyanate; |
Density: | 1.15 g/cm3 |
Boiling Point: | 232.3 °C at 760 mmHg |
Flash Point: | 94.3 °C |
Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 2206 |
PSA: | 57.67000 |
LogP: | 1.62640 |
What can I do for you?
Get Best Price
The Thiophene, 2-(2-isocyanatoethyl)-, with the CAS registry number of 58749-51-2, is also known as 2-(Thiophen-2-yl)ethyl isocyanate. This chemical's molecular formula is C7H7NOS and molecular weight is 153.2. What's more, its systematic name is called 2-(2-Isocyanatoethyl)thiophene.
Physical properties about Thiophene, 2-(2-isocyanatoethyl)- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.41; (6)ACD/BCF (pH 7.4): 66.41; (7)ACD/KOC (pH 5.5): 701.42; (8)ACD/KOC (pH 7.4): 701.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.67 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 43.97 cm3; (15)Molar Volume: 133 cm3; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.15 g/cm3; (18)Flash Point: 94.3 °C; (19)Enthalpy of Vaporization: 46.9 kJ/mol; (20)Boiling Point: 232.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0595 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. In addition, this chemical is 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: O=C=N\CCc1sccc1
(2) InChI: InChI=1/C7H7NOS/c9-6-8-4-3-7-2-1-5-10-7/h1-2,5H,3-4H2
(3) InChIKey: KAJZMNLREUEZSH-UHFFFAOYAS