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3228-99-7

Basic Information
CAS No.: 3228-99-7
Name: PENTAERYTHRITYL TETRACHLORIDE
Article Data: 23
Molecular Structure:
Molecular Structure of 3228-99-7 (PENTAERYTHRITYL TETRACHLORIDE)
Formula: C5H8Cl4
Molecular Weight: 209.931
Synonyms: 2,2-Bis(chloromethyl)-1,3-dichloropropane;NSC 405471;NSC 408644;Pentaerythritol tetrachloride;Pentaerythrityl tetrachloride;Tetrachloride;Tetrakis(chloromethyl)methane;1,3-dichloro-2,2-bis(chloromethyl)propane;propane, 1,3-dichloro-2,2-bis(chloromethyl)-;
EINECS: 221-763-8
Density: 1.34 g/cm3
Melting Point: 94-96°C(lit.)
Boiling Point: 233.3 °C at 760 mmHg
Flash Point: 94.8 °C
Solubility: Insoluble in water.
Appearance: light beige fluffy powder
Safety: 24/25
PSA: 0.00000
LogP: 2.92800
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  • Pentaerythrityltetrachloride

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  • Propane,1,3-dichloro-2,2-bis(chloromethyl)-

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    Propane,1,3-dichloro-2,2-bis(chloromethyl)-

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Specification

The Propane,1,3-dichloro-2,2-bis(chloromethyl)-, with the CAS registry number 3228-99-7 and EINECS registry number 221-763-8, has the systematic name and IUPAC name of 1,3-dichloro-2,2-bis(chloromethyl)propane. It is a kind of light beige fluffy powder, and belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives. And the molecular formula of the chemical is C5H8Cl4. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Propane,1,3-dichloro-2,2-bis(chloromethyl)- are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.33; (6)ACD/BCF (pH 7.4): 265.33; (7)ACD/KOC (pH 5.5): 1890.41; (8)ACD/KOC (pH 7.4): 1890.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 44.57 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 17.67×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 94.8 °C; (20)Enthalpy of Vaporization: 45.09 kJ/mol; (21)Boiling Point: 233.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0859 mmHg at 25°C. 

Uses of Propane,1,3-dichloro-2,2-bis(chloromethyl)-: It can react with diphenylarsane; sodium salt to produce (Chlormethyl)tris[(diphenylarsino)methyl]methan. This reaction will need reagent liquid NH3 and NH4Cl, and the menstruum diethyl ether. The reaction time is 5 hours with heating, and the yield is about 96%.     

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC(CCl)(CCl)CCl
(2)InChI: InChI=1/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2
(3)InChIKey: KPZGRMZPZLOPBS-UHFFFAOYAK