Pyrene,1,3,6,8-tetrachloro- supplier

Name
1,3,6,8-tetrachloropyrene
EINECS 201-340-4
CAS No. 81-29-8
Article Data11
CAS DataBase
Density 1.62 g/cm³
Solubility
Melting Point
Formula C₁₆H₆Cl₄
Boiling Point 487.6 °C at 760 mmHg
Molecular Weight 340.036
Flash Point 260.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,6,8-Tetrachloropyrene;NSC 93972;3,5,8,10-Tetrachloropyrene;
PSA
LogP

Pyrene,1,3,6,8-tetrachloro- Specification

The CAS register number of Pyrene,1,3,6,8-tetrachloro- is 81-29-8. It also can be called as 3,5,8,10-Tetrachloropyrene and the IUPAC name about this chemical is 1,3,6,8-tetrachloropyrene. The molecular formula about this chemical is C₁₆H₆Cl₄ and the molecular weight is 340.0308.

Physical properties about Pyrene,1,3,6,8-tetrachloro- are: (1)ACD/LogP: 7.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.58; (4)ACD/LogD (pH 7.4): 7.58; (5)ACD/BCF (pH 5.5): 337116.16; (6)ACD/BCF (pH 7.4): 337116.16; (7)ACD/KOC (pH 5.5): 315034.59; (8)ACD/KOC (pH 7.4): 315034.59; (9)Index of Refraction: 1.829; (10)Molar Refractivity: 92.04 cm³; (11)Molar Volume: 209.7 cm³; (12)Polarizability: 36.48x10^-24cm³; (13)Surface Tension: 63.9 dyne/cm; (14)Flash Point: 260.4 °C; (15)Enthalpy of Vaporization: 72.48 kJ/mol; (16)Boiling Point: 487.6 °C at 760 mmHg; (17)Vapour Pressure: 3.49E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc4cc(Cl)c2ccc1c(Cl)cc(Cl)c3c1c2c4cc3
(2)InChI: InChI=1/C16H6Cl4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
(3)InChIKey: KNMMEDCCXYQFAX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C16H6Cl4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
(5)Std. InChIKey: KNMMEDCCXYQFAX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	unreported	4gm/kg (4000mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 183, 1986.

Product Name

1,3,6,8-tetrachloropyrene

Pyrene,1,3,6,8-tetrachloro- Specification

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