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

Name
4-(3-BROMO-PHENYL)-THIAZOL-2-YLAMINE
EINECS
CAS No. 105512-81-0
Article Data29
CAS DataBase
Density 1.636
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4-(3-bromophenyl)thiazole;4-(3-Bromophenyl)-2-aminothiazole;4-(3-Bromophenyl)thiazol-2-ylamine;
PSA 67.15000
LogP 3.73600

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^-24cm³; (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

Product Name

4-(3-BROMO-PHENYL)-THIAZOL-2-YLAMINE

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

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