Benzenamine,4-(2-benzothiazolyl)- supplier

Name
4-BENZOTHIAZOL-2-YL-PHENYLAMINE
EINECS
CAS No. 6278-73-5
Article Data95
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point 152-154℃
Formula C₁₃H₁₀N₂S
Boiling Point 423.3 °C at 760 mmHg
Molecular Weight 226.302
Flash Point 209.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Benzothiazole,2-(p-aminophenyl)- (6CI,7CI,8CI);2-(4-Aminophenyl)-1,3-benzothiazole;2-(4-Aminophenyl)benzothiazole;2-(4'-Aminophenyl)benzothiazole;2-(p-Aminophenyl)benzothiazole;4-(2-Benzothiazolyl)benzenamine;4-(Benzo[d]thiazol-2-yl)aniline;4-(Benzothiazol-2-yl)aniline;4-(Benzothiazol-2-yl)phenylamine;CJM 126;NSC 34445;
PSA 67.15000
LogP 4.12670

Benzenamine,4-(2-benzothiazolyl)- Specification

The Benzenamine,4-(2-benzothiazolyl)-, with the CAS registry number 6278-73-5, is also known as 2-(4-Aminophenyl)benzothiazole. This chemical's molecular formula is C₁₃H₁₀N₂S and molecular weight is 226.3. What's more, its IUPAC name is 4-(1,3-benzothiazol-2-yl)aniline.

Physical properties of Benzenamine,4-(2-benzothiazolyl)- are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.37 Å²; (7)Index of Refraction: 1.73; (8)Molar Refractivity: 69.39 cm³; (9)Molar Volume: 173.8 cm³; (10)Polarizability: 27.51×10^-24cm³; (11)Surface Tension: 61.9 dyne/cm; (12)Density: 1.301 g/cm³; (13)Flash Point: 209.8 °C; (14)Enthalpy of Vaporization: 67.76 kJ/mol; (15)Boiling Point: 423.3 °C at 760 mmHg; (16)Vapour Pressure: 2.25E-07 mmHg at 25°C.

Preparation of Benzenamine,4-(2-benzothiazolyl)-: this chemical can be prepared by 2-(4-nitro-phenyl)-benzothiazole by heating. This reaction will need reagent SnCl₂·2H₂O and solvent ethanol with the reaction time of 4 hours. The yield is about 97%.

Benzenamine,4-(2-benzothiazolyl)- can be prepared by 2-(4-nitro-phenyl)-benzothiazole by heating

Uses of Benzenamine,4-(2-benzothiazolyl)-: it can be used to produce 2-(4-amino-3,5-dibromophenyl)benzothiazole at the temperature of 25 - 80 °C. It will need reagents Br₂, AcOH with the reaction time of 2 hours. The yield is about 78%.

Benzenamine,4-(2-benzothiazolyl)- can be used to produce 2-(4-amino-3,5-dibromophenyl)benzothiazole at the temperature of 25 - 80 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N
(2)InChI: InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2
(3)InChIKey: WKRCOZSCENDENK-UHFFFAOYSA-N

Product Name

4-BENZOTHIAZOL-2-YL-PHENYLAMINE

Benzenamine,4-(2-benzothiazolyl)- Specification

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