TRANS-2,5-DIFLUOROCINNAMIC ACID
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TRANS-2,5-DIFLUOROCINNAMIC ACID
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CAS No:
112898-33-6
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Formula:
C9H6F2O2
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Chemical Name:
TRANS-2,5-DIFLUOROCINNAMIC ACID
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Synonyms:
(2E)-3-(2,5-Difluorophenyl)-2-propenoic acid;2,5-DIFLUOROCINNAMIC ACID;TRANS-2,5-DIFLUOROCINNAMIC ACID;RARECHEM AL BK 0214;trans-2,5-Difluorocinnamic acid 97%;trans-2,5-Difluorocinnamicacid97%;(2E)-3-(2,5-Difluorophenyl)acrylicacid,trans-3-(2,5-Difluorophenyl)prop-2-enoicacid;trans-2,5-Difluorociamic acid,98%
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CAS No:
Characteristics
37.3
2.66
white crystalline powder
1.3056 (estimate)
138-140 °C(lit.)
278.5±25.0 °C(Predicted)
122.2±23.2 °C
1.569
0.00204mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-26/37/39
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:184.14
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.03358575
Monoisotopic Mass:184.03358575
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:216
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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