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

Name
PENTAERYTHRITYL TETRACHLORIDE
EINECS 221-763-8
CAS No. 3228-99-7
Article Data23
CAS DataBase
Density 1.34 g/cm³
Solubility Insoluble in water.
Melting Point 94-96°C(lit.)
Formula C₅H₈Cl₄
Boiling Point 233.3 °C at 760 mmHg
Molecular Weight 209.931
Flash Point 94.8 °C
Transport Information
Appearance light beige fluffy powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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)-;
PSA 0.00000
LogP 2.92800

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

Product Name

PENTAERYTHRITYL TETRACHLORIDE

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

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