3-[4-(Trifluoromethyl)phenyl]prop-2-enoic acid

HCID 74940
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Basic information

CAS
2062-26-2
Standard SMILES
O=C(O)C=Cc1ccc(C(F)(F)F)cc1
InChIKey
ANRMAUMHJREENI-UHFFFAOYSA-N
Molecular formula
C10H7F3O2
Average molar mass
216.16 g/mol
Monoisotopic mass
216.03981412

Overview

See also: 4-(Trifluoromethyl)cinnamic acid (annotation moved to).

Names & identifiers

Preferred name
3-[4-(Trifluoromethyl)phenyl]prop-2-enoic acid
IUPAC
3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
English name
2-(Trifluoromethyl)cinnamic acid
Molecular formula
C10H7F3O2
Molecular weight
216.16

Names & synonyms

2062-26-23-[4-(trifluoromethyl)phenyl]prop-2-enoic acid3-(4-trifluoromethyl-phenyl)-acrylic acid3-(4-(Trifluoromethyl)phenyl)acrylic acid3-[4-(trifluoromethyl)phenyl]acrylic acid2-propenoic aciEnamine_005929SCHEMBL805714-trifluoromethyl-cinnamic acid4-(trifluoromethyl)-cinnamic acidANRMAUMHJREENI-UHFFFAOYSA-NDTXSID901248274
Show more names
PTF-CNARARECHEM BK HW 00192-(Trifuoromethyl)cinnamic acid2-(Trifluoromethyl)cinnamic acido-(Trifluoromethyl)cinnamic acidp-(Trifluoromethyl)cinnamic acid4-(TRIFLUOROMETHYL)CINNAMIC ACID(E)-2-(Trifluoromethyl)Cinnamic Acid4-(Trifluoromethyl)benzeneacrylic acidTRANS-P-(TRIFLUOROMETHYL)CINNAMIC ACID
AKOS016042104PS-68253-(4-trifluoromethylphenyl)acrylic acidDB-043651

Database identifiers

CAS
2062-26-2
PubChem CID
74940
DTXSID
DTXSID901248274

Properties

Computed structural properties

XLogP
3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
231 · 231-233 °C(lit.)
Boiling point
279.2 · 279.2±35.0 °C(Predicted)
Density
1.363 · 1.363±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
pka
4.21 · 4.21±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39

Chemistry & industry

Applications

Uses2-(Trifluoromethyl)cinnamic acid is used as a pharmaceutical and pesticide intermediate.

Suppliers74 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Additional notes · 1 item

DefinitionChEBI: (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 is functionally related to a trans-cinnamic acid.

Related reactions

39 records
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Compound notes

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