5-(4-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine supplier

Name
2-AMINO-5-(4-CHLOROPHENYL)-1 3 4-
EINECS
CAS No. 28004-62-8
Article Data91
CAS DataBase
Density 1.461 g/cm³
Solubility
Melting Point 229-233 °C(lit.)
Formula C₈H₆ClN₃S
Boiling Point 383.9 °C at 760 mmHg
Molecular Weight 211.675
Flash Point 186 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3,4-Thiadiazole,2-amino-5-(p-chlorophenyl)- (8CI);2-(p-Chlorophenyl)-5-amino-1,3,4-thiadiazole;2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole;5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine;
PSA 64.94000
LogP 2.55340

5-(4-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine Specification

The 5-(4-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine, with the CAS registry number 28004-62-8, has the systematic name of 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine. It belongs to the following product categories: Amines; Oxadiazoles & Thiadiazoles; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiadiazoles; Thiadiazoles Heterocyclic Building Blocks. And the molecular formula of the chemical is C₈H₆ClN₃S.

The characteristics of 5-(4-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.12; (6)ACD/BCF (pH 7.4): 78.15; (7)ACD/KOC (pH 5.5): 787.74; (8)ACD/KOC (pH 7.4): 788.07; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.26 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 54.54 cm³; (15)Molar Volume: 144.8 cm³; (16)Polarizability: 21.62×10^-24cm³; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.461 g/cm³; (19)Flash Point: 186 °C; (20)Enthalpy of Vaporization: 63.25 kJ/mol; (21)Boiling Point: 383.9 °C at 760 mmHg; (22)Vapour Pressure: 4.26E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccc(c1nnc(s1)N)cc2
(2)InChI: InChI=1/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
(3)InChIKey: OAVULPOOAHQYDZ-UHFFFAOYAV

Product Name

2-AMINO-5-(4-CHLOROPHENYL)-1 3 4-

5-(4-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine Specification

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