(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid
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![(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/efe4b16936a94ae5accc140832510607.png "(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid")
(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid
structure -
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CAS No:
16642-92-5
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Formula:
C10H7F3O2
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Chemical Name:
(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-[4-(trifluoromethyl)phenyl]-,(2E)-;Cinnamic acid,p-(trifluoromethyl)-,(E)-;2-Propenoic acid,3-[4-(trifluoromethyl)phenyl]-,(E)-;(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid;4-Trifluoromethyl-trans-cinnamic acid;trans-4-Trifluoromethylcinnamic acid;(E)-4-Trifluoromethylcinnamic acid;(E)-3-(4-(Trifluoromethyl)phenyl)acrylic acid;trans-3-(4-Trifluoromethylphenyl)acrylic acid;(E)-p-(Trifluoromethyl)cinnamic acid;(E)-3-(4-Trifluoromethylphenyl)-2-propenoic acid;(E)-3-(4-Trifluoromethylphenyl)acrylic acid
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CAS No:
Description
white crystalline powder
(E)-4-(trifluoromethyl)cinnamic acid is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the para-position. It is a member of cinnamic acids and a member of (trifluoromethyl)benzenes. It derives from a trans-cinnamic acid.
(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid Basic Attributes
216.16
216.16
2452800
-0
2916399090
Characteristics
37.3
3
white crystalline powder
1.3275 (estimate)
202.0-205.0 °C
279.2±35.0 °C(Predicted)
122.6±25.9 °C
1.526
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:216.16
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:216.03981395
Monoisotopic Mass:216.03981395
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:250
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid
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