2-Chloro-4,5-difluorobenzoic acid
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2-Chloro-4,5-difluorobenzoic acid
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CAS No:
110877-64-0
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Formula:
C7H3ClF2O2
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Chemical Name:
2-Chloro-4,5-difluorobenzoic acid
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Synonyms:
Benzoic acid,2-chloro-4,5-difluoro-;2-Chloro-4,5-difluorobenzoic acid
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CAS No:
2-Chloro-4,5-difluorobenzoic acid Basic Attributes
192.55
192.55
4247522
405-380-5
DTXSID60353180
29163990
Characteristics
37.3
2.4
White Fine Crystalline Powder
1.6±0.1 g/cm3
86-88 °C
258 °C
257-259°C
1.535
H2O: 5.0 g/L (20 ºC)
0.00273mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-41-43-21/22-20/21/22
26-39-36/37/39-36
Xi,Xn
Irritant
P261-P280-P305 + P351 + P338
H315-H318-H335
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, and P501|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:192.55
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.9789634
Monoisotopic Mass:191.9789634
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-4,5-difluorobenzoic acid
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