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Name |
3-Pyridinemethanol, a,a-bis(4-chlorophenyl)- |
EINECS | 241-761-0 |
CAS No. | 17781-31-6 | Density | 1.334 g/cm3 |
PSA | 33.12000 | LogP | 4.67260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H13Cl2NO | Boiling Point | 485.3 °C at 760 mmHg |
Molecular Weight | 330.213 | Flash Point | 247.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bis(4-chlorophenyl)(pyridin-3-yl)methanol; |
Article Data | 6 |
The 3-Pyridinemethanol, a,a-bis(4-chlorophenyl)-, with the CAS registry number 17781-31-6, is also known as Bis(4-chlorophenyl)(pyridin-3-yl)methanol. Its EINECS registry number is 241-761-0. This chemical's molecular formula is C18H13Cl2NO and molecular weight is 330.2079. Its Classification Codes are Agricultural Chemical; Drug/Therapeutic Agent; Fungicide, bactericide, wood preservative; Out-dated pesticide.
Physical properties about 3-Pyridinemethanol, a,a-bis(4-chlorophenyl)- are: (1)ACD/LogP: 4.29; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.28; (5)ACD/BCF (pH 5.5): 922.22; (6)ACD/BCF (pH 7.4): 1061.01; (7)ACD/KOC (pH 5.5): 4428.73; (8)ACD/KOC (pH 7.4): 5095.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 88.95 cm3; (15)Molar Volume: 247.4 cm3; (16)Polarizability: 35.26×10-24 cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 247.3 °C; (20)Enthalpy of Vaporization: 79.08 kJ/mol; (21)Boiling Point: 485.3 °C at 760 mmHg; (22)Vapour Pressure: 3.12E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(O)(c2ccc(Cl)cc2)c3cccnc3
(2) InChI: InChI=1/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H
(3) InChIKey: NBNTWDUNCHRWMT-UHFFFAOYAS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 5gm/kg (5000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C230, 1991. |