Phenylmethyl 2,2,2-trichloroethanimidate
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Phenylmethyl 2,2,2-trichloroethanimidate
structure -
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CAS No:
81927-55-1
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Formula:
C9H8Cl3NO
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Chemical Name:
Phenylmethyl 2,2,2-trichloroethanimidate
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Synonyms:
Ethanimidic acid,2,2,2-trichloro-,phenylmethyl ester;Acetimidic acid,2,2,2-trichloro-,benzyl ester;Phenylmethyl 2,2,2-trichloroethanimidate;Benzyl trichloroacetimidate;Benzyl 2,2,2-trichloroacetimidate;O-Benzyl 2,2,2-trichloroacetimidate;2,2,2-Trichloroacetimidic acid benzyl ester;Benzyl 2,2,2-trichloroethanimidate
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CAS No:
Phenylmethyl 2,2,2-trichloroethanimidate Basic Attributes
252.52
252.52
2525375
617-271-1
2925290090
Characteristics
33.1
3.6
Clear colorless to yellow Liquid
1.4±0.1 g/cm3
3 °C
104 °C @ Press: 0.1 Torr
>230 °F
1.550
Miscible with cyclohexane/dichloromethane.
2-8°C
Safety Information
NONH for all modes of transport
3
22-36/37/38
26
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Phenylmethyl 2,2,2-trichloroethanimidate Use and Manufacturing
DBU (1, 8-Diazabicyclo[5.4.0]undec-7-ene) (1.24 mL, 8.31 mmol) was added drop wise to asolution of benzyl alcohol (8.60 mL, 83.11 mmol) and trichloroacetonitrile (41.66 ml, 415.57 mmol) in CH[Production Example 30]
Used for the acid-catalyzed benzylation of hydroxy groups.1
Computed Properties
Molecular Weight:252.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:250.967147
Monoisotopic Mass:250.967147
Topological Polar Surface Area:33.1
Heavy Atom Count:14
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Phenylmethyl 2,2,2-trichloroethanimidate
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