Thiophene,2-(2-isocyanatoethyl)- supplier

Name
2-(THIEN-2-YL)ETHYL ISOCYANATE
EINECS
CAS No. 58749-51-2
Article Data3
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₇H₇NOS
Boiling Point 232.3 °C at 760 mmHg
Molecular Weight 153.205
Flash Point 94.3 °C
Transport Information UN 2206
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms 2-(2-isocyanatoethyl)thiophene;2-(Thien-2-yl)ethyl isocyanate;2-(Thiophen-2-yl)ethyl isocyanate;
PSA 57.67000
LogP 1.62640

Thiophene,2-(2-isocyanatoethyl)- Specification

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

Product Name

2-(THIEN-2-YL)ETHYL ISOCYANATE

Thiophene,2-(2-isocyanatoethyl)- Specification

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