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CAS No.: | 56962-00-6 |
---|---|
Name: | 2-amino-3-chlorophenol |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H6ClNO |
Molecular Weight: | 143.573 |
Synonyms: | 2-Amino-3-chlorophenol; |
Density: | 1.406 g/cm3 |
Melting Point: | 122 °C |
Boiling Point: | 242.6 °C at 760 mmHg |
Flash Point: | 100.5 °C |
PSA: | 46.25000 |
LogP: | 2.20900 |
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The CAS registry number of Phenol,2-amino-3-chloro- is 56962-00-6. The IUPAC name is 2-amino-3-chlorophenol. In addition, the molecular formula is C6H6ClNO and the molecular weight is 143.57. It should be stored in a cool and dry place.
Physical properties about Phenol,2-amino-3-chloro- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 12.26; (6)ACD/BCF (pH 7.4): 11.84; (7)ACD/KOC (pH 5.5): 209.11; (8)ACD/KOC (pH 7.4): 201.93; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 37.26 cm3; (15)Molar Volume: 102 cm3; (16)Polarizability: 14.77 ×10-24cm3; (17)Surface Tension: 59.8 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 100.5 °C; (20)Enthalpy of Vaporization: 49.9 kJ/mol; (21)Boiling Point: 242.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0217 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc(Cl)c1N
(2)InChI: InChI=1/C6H6ClNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
(3)InChIKey: JSHJJLQJRLNBBA-UHFFFAOYAM