3-Chloro-2,2-dimethylpropanoic acid
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3-Chloro-2,2-dimethylpropanoic acid
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CAS No:
13511-38-1
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Formula:
C5H9ClO2
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Chemical Name:
3-Chloro-2,2-dimethylpropanoic acid
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Synonyms:
Propanoic acid,3-chloro-2,2-dimethyl-;Propionic acid,3-chloro-2,2-dimethyl-;3-Chloro-2,2-dimethylpropanoic acid;β-Chloro-α,α-dimethylpropionic acid;Chloropivalic acid;3-Chloropivalic acid;β-Chloropivalic acid;Chlorotrimethylacetic acid;3-Chloro-2,2-dimethylpropionic acid;NSC 89696
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CAS No:
3-Chloro-2,2-dimethylpropanoic acid Basic Attributes
136.58
136.58
236-848-5
H601192X41
89696
DTXSID0065517
2915900090
Characteristics
37.3
1.2
WHITE TO LIGHT YELLOW-BEIGE CRYSTALLINE POWDER
1.1418 (rough estimate)
41.5 °C
90-120 °C @ Press: 7 Torr
>230 °F
1.4445 (estimate)
0.0584mmHg at 25°C
Safety Information
III
8
UN 3261 8/PG 3
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-2,2-dimethylpropanoic acid Use and Manufacturing
The preparation method is to chlorinate pivalic acid by chlorinating pivalic acid at a certain temperature.
3-chloropivalic acid is an intermediate of the herbicide clomazone.
Propanoic acid, 3-chloro-2,2-dimethyl-: ACTIVE
Computed Properties
Molecular Weight:136.58
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:136.0291072
Monoisotopic Mass:136.0291072
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chloro-2,2-dimethylpropanoic acid
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