2-Thiazolamine,4-[1,1'-biphenyl]-4-yl- supplier

Name
2-amino-4-(4-biphenylyl)-thiazol
EINECS
CAS No. 2834-79-9
Article Data14
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 129-132?°C(lit.)
Formula C₁₅H₁₂N₂S
Boiling Point 489 °C at 760 mmHg
Molecular Weight 252.34
Flash Point 249.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Thiazole,2-amino-4-(4-biphenylyl)- (6CI,7CI,8CI);4-(1,1'-Biphenyl-4-yl)-2-amino-1,3-thiazole;4-(4-Phenylphenyl)thiazol-2-amine;4-(biphenyl-4-yl)-1,3-thiazol-2-amine;2-Thiazolamine, 4-[1,1'-biphenyl]-4-yl-;4-(Biphenyl-4-yl)-1,3-thiazol-2-amine;
PSA 67.15000
LogP 4.64050

2-Thiazolamine,4-[1,1'-biphenyl]-4-yl- Specification

The 2-Thiazolamine,4-[1,1'-biphenyl]-4-yl-, with the CAS registry number 2834-79-9, has the sydtematic name of 4-(biphenyl-4-yl)-1,3-thiazol-2-amine. It is also called 4-(4-phenylphenyl)-1,3-thiazol-2-amine. And the molecular formula of the chemical is C₁₅H₁₂N₂S.

The characteristics of 2-Thiazolamine,4-[1,1'-biphenyl]-4-yl- are as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 171.39; (6)ACD/BCF (pH 7.4): 441.75; (7)ACD/KOC (pH 5.5): 1050.27; (8)ACD/KOC (pH 7.4): 2707.09; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 76.14 cm³; (15)Molar Volume: 204.9 cm³; (16)Polarizability: 30.18×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 249.5 °C; (20)Enthalpy of Vaporization: 75.52 kJ/mol; (21)Boiling Point: 489 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n3c(c2ccc(c1ccccc1)cc2)csc3N
(2)InChI: InChI=1/C15H12N2S/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,16,17)
(3)InChIKey: HTAUVJPDFDVVHV-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	150mg/kg (150mg/kg)		National Technical Information Service. Vol. AD277-689,
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 11, 1953.

Product Name

2-amino-4-(4-biphenylyl)-thiazol

2-Thiazolamine,4-[1,1'-biphenyl]-4-yl- Specification

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