3-Pyridinemethanol, a,a-bis(4-chlorophenyl)- supplier

Name
alpha,alpha-bis(4-chlorophenyl)pyridine-3-methanol
EINECS 241-761-0
CAS No. 17781-31-6
Article Data6
CAS DataBase
Density 1.334 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₃Cl₂NO
Boiling Point 485.3 °C at 760 mmHg
Molecular Weight 330.213
Flash Point 247.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bis(4-chlorophenyl)(pyridin-3-yl)methanol;
PSA 33.12000
LogP 4.67260

3-Pyridinemethanol, a,a-bis(4-chlorophenyl)- Specification

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^-24cm³; (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.

Product Name

alpha,alpha-bis(4-chlorophenyl)pyridine-3-methanol

3-Pyridinemethanol, a,a-bis(4-chlorophenyl)- Specification

Related Products

Hot Products