3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
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3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
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CAS No:
129931-45-9
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Formula:
C8H3ClF4O2
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Chemical Name:
3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
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Synonyms:
3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID;RARECHEM AL BE 0499;3-Carboxy-5-chloro-4-fluorobenzotrifluoride, 5-Chloro-alpha,alpha,alpha,6-tetrafluoro-m-toluic acid
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CAS No:
3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Basic Attributes
242.55
241.975769
-0
DTXSID10378686
2916399090
Characteristics
37.3
4.34
1.6±0.1 g/cm3
89-91°C
254.9±40.0 °C at 760 mmHg
108.0±27.3 °C
1.480
Soluble in most organic solvents, basic aqueous solutions.
0.00868mmHg at 25°C
Safety Information
IRRITANT
36/37/38
26-36
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:242.55
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:241.9757697
Monoisotopic Mass:241.9757697
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
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