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CAS No.: | 3228-99-7 |
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Name: | PENTAERYTHRITYL TETRACHLORIDE |
Article Data: | 23 |
Molecular Structure: | |
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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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