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2-Thiazolamine,4-(3-bromophenyl)-

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Name

2-Thiazolamine,4-(3-bromophenyl)-

EINECS N/A
CAS No. 105512-81-0 Density 1.636
PSA 67.15000 LogP 3.73600
Solubility N/A Melting Point 130-131 °C
Formula C9H7BrN2S Boiling Point 398.8 °C at 760 mmHg
Molecular Weight 255.138 Flash Point 195 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 105512-81-0 (4-(3-BROMO-PHENYL)-THIAZOL-2-YLAMINE) Hazard Symbols
Synonyms

2-Amino-4-(3-bromophenyl)thiazole;4-(3-Bromophenyl)-2-aminothiazole;4-(3-Bromophenyl)thiazol-2-ylamine;

Article Data 29

2-Thiazolamine,4-(3-bromophenyl)- Specification

The 2-Thiazolamine,4-(3-bromophenyl)-, with the CAS registry number 105512-81-0, is also known as 4-(3-Bromophenyl)-2-thiazolamine. This chemical's molecular formula is C9H7BrN2S and molecular weight is 255.13. What's more, its systematic name is 4-(3-Bromophenyl)-1,3-thiazol-2-amine. 

Physical properties of 2-Thiazolamine,4-(3-bromophenyl)- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 64.41; (6)ACD/BCF (pH 7.4): 80.97; (7)ACD/KOC (pH 5.5): 642.41; (8)ACD/KOC (pH 7.4): 807.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 59.24 cm3; (15)Molar Volume: 155.8 cm3; (16)Polarizability: 23.48×10-24 cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.636 g/cm3; (19)Flash Point: 195 °C; (20)Enthalpy of Vaporization: 64.95 kJ/mol; (21)Boiling Point: 398.8 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Brc2cc(c1nc(sc1)N)ccc2
(2)InChI: InChI=1/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
(3)InChIKey: PDNKBFMOKUBDDR-UHFFFAOYAO

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