PENTAERYTHRITOLTRICHLOROHYDRIN
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PENTAERYTHRITOLTRICHLOROHYDRIN
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CAS No:
813-99-0
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Formula:
C5H9Cl3O
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Chemical Name:
PENTAERYTHRITOLTRICHLOROHYDRIN
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Synonyms:
PENTAERYTHRITOL TRICHLOROHYDRIN;Pentaerythrityl trichlorohydrin;3-CHLORO-2,2-DICHLOROMETHYLPROPANOL;3-Chloro-2,2-bis(chloromethyl)propan-1-ol;2,2-bis(chloromethyl)-3-chloro-1-propanol;3- CHLORO-2,2-BIS(CHLOROMETHYL)-1-PROPANOL
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CAS No:
Safety Information
P280, P305+P351+P338, P310
H318
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
PENTAERYTHRITOLTRICHLOROHYDRIN Use and Manufacturing
Pentaerythritol (15 g, 0.11 mmol) was added to pyridine (27 ml)After heating to 65 & lt; 0 & gt; C, thionyl chloride(24.7 ml, 0.33 mol) was slowly added over 4 hours maintaining an internal temperature of 65 [deg.] C to 95 [deg.] C.The reaction solution was reacted for 18 hours while maintaining the temperature of the reaction solution at 120 to 130 DEG C, and then cooled to room temperature. The reaction solution was poured into ice water (75 ml) and stirred for 30 minutes. The resulting solid was filtered, washed thoroughly with water and dried to give 3-chloro-2, 2-bis (chloromethyl) propan-1-ol (15.4 g, 73percent).
Computed Properties
Molecular Weight:191.48
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:189.971898
Monoisotopic Mass:189.971898
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:64.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes