3,5,5-Trimethylhexanoyl chloride
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3,5,5-Trimethylhexanoyl chloride
structure -
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CAS No:
36727-29-4
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Formula:
C9H17ClO
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Chemical Name:
3,5,5-Trimethylhexanoyl chloride
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Synonyms:
Hexanoyl chloride,3,5,5-trimethyl-;3,5,5-Trimethylhexanoyl chloride;3,5,5-Trimethylhexanoic acid chloride;Isononanoic acid chloride;2,4,4-Trimethylhexanoyl chloride
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CAS No:
3,5,5-Trimethylhexanoyl chloride Basic Attributes
176.68400
176.68
253-168-4
DTXSID0049284
2915900090
Characteristics
17.07000
3.21420
Liquid
0.93 g/mL at 25 °C(lit.)
188-190ºC
188-190 °C @ Press: 760 Torr
284 °F
n20/D 1.436(lit.)
Safety Information
III
8
3389
1
R14;R20;R34
S26-S27-S36/37/39-S45
MP4560000
C:Corrosive;
P260-P273-P280-P284-P305 + P351 + P338-P310
H290-H302-H314-H317-H330-H412
|Danger|H290 (98.48%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P330, P333+P313, P363, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 132 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,5,5-Trimethylhexanoyl chloride Use and Manufacturing
Intermediates
Paints and coatings
All other chemical product and preparation manufacturing|Hexanoyl chloride, 3,5,5-trimethyl-: ACTIVE
Computed Properties
Molecular Weight:176.68
XLogP3:3.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:176.0967929
Monoisotopic Mass:176.0967929
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:135
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5,5-Trimethylhexanoyl chloride
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