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chlorotitanium(1+),cyclopenta-1,3-diene,[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

chlorotitanium(1+),cyclopenta-1,3-diene,[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol structure

CAS No:
132068-98-5
Formula:
C36H33ClO4Ti
Chemical Name:
chlorotitanium(1+),cyclopenta-1,3-diene,[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
Synonyms:
(R,R)-Duthaler-Hafner reagent; [(4R,5R)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitanium; Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-|A,|A,|A inverted exclamation marka,|A inverted exclamation marka-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium; (4R,5R)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium;

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chlorotitanium(1+),cyclopenta-1,3-diene,[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol Basic Attributes

Molecular Weight：

612.96500

Exact Mass：

614.1703280

DSSTox ID：

DTXSID70746483

Characteristics

PSA：

64.58000

XLogP3：

4.57580

Melting Point：

209-213ºC

Storage Conditions：

2-8ºC

Safety Information

Transport codes：

UN 3261 8/PG 2

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:615.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:614.1703280
Monoisotopic Mass:614.1703280
Topological Polar Surface Area:58.9
Heavy Atom Count:42
Complexity:587
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of chlorotitanium(1+),cyclopenta-1,3-diene,[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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