2-Thienyl Isocyanate supplier

Name
2-Thienyl isocyanate
EINECS
CAS No. 2048-57-9
Article Data12
CAS DataBase
Density 1.243 g/cm³
Solubility
Melting Point 108 °C
Formula C₅H₃NOS
Boiling Point 161.483 °C at 760 mmHg
Molecular Weight 125.151
Flash Point 51.463 °C
Transport Information
Appearance
Safety 26-36/37/39-3
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols C; Xn
Synonyms Isocyanicacid, 2-thienyl ester (7CI,8CI);2-Isocyanatothiophene;2-Thienyl isocyanate;2-isocyanatothiophene;2-Thienyl Isocyanate;thiophene, 2-isocyanato-;2-isocyanatothiophene;
PSA 57.67000
LogP 1.71540

2-Thienyl Isocyanate Specification

The 2-Thienyl Isocyanate with CAS registry number of 2048-57-9 is also called Thiophene,2-isocyanato-. The IUPAC name is 2-isocyanatothiophene. In addition, the formula is C₅H₃NOS and the molecular weight is 125.14842. What's more, it belongs to the classes of Isocyanates; Thiophenes & Benzothiophenes; Thiophenes & Benzothiophenes.

Physical properties about 2-Thienyl Isocyanate are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.279; (4)ACD/LogD (pH 7.4): 2.279; (5)ACD/BCF (pH 5.5): 31.796; (6)ACD/BCF (pH 7.4): 31.796; (7)ACD/KOC (pH 5.5): 414.011; (8)ACD/KOC (pH 7.4): 414.011; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.67 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 34.752 cm³; (15)Molar Volume: 100.644 cm³; (16)Polarizability: 13.777 ×10^-24cm³; (17)Surface Tension: 49.919 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 51.463 °C; (20)Enthalpy of Vaporization: 39.807 kJ/mol; (21)Boiling Point: 161.483 °C at 760 mmHg; (22)Vapour Pressure: 2.268 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. When you are 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. In addition, it should be kept in a cool place.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(sc1)N=C=O
(2)InChI: InChI=1/C5H3NOS/c7-4-6-5-2-1-3-8-5/h1-3H
(3)InChIKey: QVLWPBIUVXZGRK-UHFFFAOYAP

Product Name

2-Thienyl isocyanate

2-Thienyl Isocyanate Specification

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