2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid
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2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid
structure -
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CAS No:
126120-85-2
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Formula:
C8H4F2O4
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Chemical Name:
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid
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Synonyms:
2,2-Difluorobenzo[d][1,3]dioxole-4-carboxylic acid; 2,2-DICHLOROCYCLOPROPYL PHENYL SULFIDE; 2,2-difluoro-2H-1,3-benzodioxole-4-carboxylic acid;
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CAS No:
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid Basic Attributes
202.11200
202.00776493
DTXSID80378870
2932999099
Characteristics
55.76000
1.70630
1.66g/cm3
202-205ºC
260.8ºC at 760 mmHg
111.5ºC
1.561
0.0061mmHg at 25°C
Safety Information
R36/37/38
S26-S36
Xi
P273; P280; P305 + P351 + P338
H302; H318; H400
|Danger|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
(2,2-difluoro-benzo(1,3)dioxol-4-carbocyclic acid is a known environmental transformation product of fludioxonil.|CGA 192155 is a known environmental transformation product of Fludioxonil.
Computed Properties
Molecular Weight:202.11
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:202.00776493
Monoisotopic Mass:202.00776493
Topological Polar Surface Area:55.8
Heavy Atom Count:14
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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