3,5-Bis(trifluoromethyl)benzoyl chloride
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3,5-Bis(trifluoromethyl)benzoyl chloride
structure -
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CAS No:
785-56-8
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Formula:
C9H3ClF6O
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Chemical Name:
3,5-Bis(trifluoromethyl)benzoyl chloride
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Synonyms:
Benzoyl chloride,3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzoyl chloride;3′,5′-Bis(trifluoromethyl)benzoyl chloride;3,5-Bis(trifluoromethyl)benzenecarbonyl chloride;3,5-Ditrifluoromethylbenzoyl chloride;1255703-10-6
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CAS No:
3,5-Bis(trifluoromethyl)benzoyl chloride Basic Attributes
276.56
276.56
2593440
212-322-0
DTXSID30229126
2942000000
Characteristics
17.1
4.60
Clear colorless to very slightly yellow Liquid
1.5±0.1 g/cm3
5-10C
65-67 °C (12 mmHg)
162 °F
1.422
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
II
8
UN 3265 8/PG 2
3
34-37-36
26-36/37/39-45-27
C
Corrosive
P280-P305 + P351 + P338-P310
H314
|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 45 companies from 4 notifications to the ECHA C&L Inventory.
3,5-Bis(trifluoromethyl)benzoyl chloride Use and Manufacturing
It is an important organic synthesis intermediate with wide applications and good prospects in medicine, pesticides and various functional materials. It is used to synthesize neurokinin antagonists with 3,5-bis(trifluoromethyl)benzoyl as structural features, and a class of chlorine-containing herbicides. It can also be used to synthesize an efficient germane dehydrogenation catalyst, and its acid sodium salt is also an excellent antioxidant.
Computed Properties
Molecular Weight:276.56
XLogP3:4.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:275.9776614
Monoisotopic Mass:275.9776614
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5-Bis(trifluoromethyl)benzoyl chloride
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