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| CAS No.: | 6145-41-1 |
|---|---|
| Name: | 3-Chlorophenylguanidine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H8ClN3 |
| Molecular Weight: | 169.614 |
| Synonyms: | Guanidine,(3-chlorophenyl)- (9CI);Guanidine, (m-chlorophenyl)- (7CI);Guanidine,(m-chlorophenyl)- (8CI);(3-Chlorophenyl)guanidine;MD 354;2-(3-chlorophenyl)guanidine;m-chlorophenylguanidine;Guanidine, N-(3-chlorophenyl)-; |
| Density: | 1.36 g/cm3 |
| Melting Point: | 206 °C(Solv: ethanol, 95% (64-17-5)) |
| Boiling Point: | 342.1 °C at 760 mmHg |
| Flash Point: | 160.7 °C |
| PSA: | 61.90000 |
| LogP: | 2.51840 |
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Specification
The 3-Chlorophenylguanidine, with the CAS registry number 6145-41-1, has the systematic name of 2-(3-chlorophenyl)guanidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H8ClN3.
The characteristics of 3-Chlorophenylguanidine are as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 1.58; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.84 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 43.73 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 17.33×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 160.7 °C; (20)Enthalpy of Vaporization: 58.59 kJ/mol; (21)Boiling Point: 342.1 °C at 760 mmHg; (22)Vapour Pressure: 7.68E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(/N=C(\N)N)ccc1
(2)InChI: InChI=1/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
(3)InChIKey: DWLMIHRZURMFAQ-UHFFFAOYAC