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CAS No.: | 570391-19-4 |
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Name: | 3-Chloro-5-(dimethylamino)phenol |
Molecular Structure: | |
Formula: | C8H10ClNO |
Molecular Weight: | 171.6241 |
Synonyms: | Phenol, 3-chloro-5-(dimethylamino)-; |
Density: | 1.245 g/cm3 |
Boiling Point: | 304.4 °C at 760 mmHg |
Flash Point: | 137.9 °C |
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The 3-Chloro-5-(dimethylamino)phenol, with the CAS registry number 570391-19-4, is also known as Phenol, 3-chloro-5-(dimethylamino)-. This chemical's molecular formula is C8H10ClNO and molecular weight is 171.6241. What's more, its systematic name is 3-Chloro-5-(dimethylamino)phenol.
Physical properties about 3-Chloro-5-(dimethylamino)phenol are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 83.58; (6)ACD/BCF (pH 7.4): 81.82; (7)ACD/KOC (pH 5.5): 824.68; (8)ACD/KOC (pH 7.4): 807.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 47.34 cm3; (15)Molar Volume: 137.8 cm3; (16)Polarizability: 18.76×10-24 cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 137.9 °C; (20)Enthalpy of Vaporization: 56.66 kJ/mol; (21)Boiling Point: 304.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000485 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(N(C)C)cc(O)c1
(2) InChI: InChI=1/C8H10ClNO/c1-10(2)7-3-6(9)4-8(11)5-7/h3-5,11H,1-2H3
(3) InChIKey: XOPTUUZFSOPFMR-UHFFFAOYAD