3,5-Dimethylbenzoyl chloride
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3,5-Dimethylbenzoyl chloride
structure -
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CAS No:
6613-44-1
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Formula:
C9H9ClO
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Chemical Name:
3,5-Dimethylbenzoyl chloride
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Synonyms:
Benzoyl chloride,3,5-dimethyl-;3,5-Dimethylbenzoyl chloride
- Categories:
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CAS No:
Safety Information
8
3265
34-43
26-36/37/39-45
DM6636900
C
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, P501
H314
|Danger|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 100 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,5-Dimethylbenzoyl chloride Use and Manufacturing
The preparation method is to add toluene and 3, 5-dimethylbenzoic acid to the reaction flask, stir, heat up to 55°C, start to add thionyl chloride dropwise, after the dropwise addition, heat up to 80°C, react for 5h, and cool down. The toluene was evaporated under reduced pressure, and the product was obtained by distillation under reduced pressure.
Organic intermediates.
Benzoyl chloride, 3,5-dimethyl-: INACTIVE
Computed Properties
Molecular Weight:168.62
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:168.0341926
Monoisotopic Mass:168.0341926
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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