CAS 67801-07-4 m-(Trifluoromethyl)cinnamic acid (HCID 719451)

Overview

(E)-3-(trifluoromethyl)cinnamic acid is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position. It is a member of cinnamic acids, a member of styrenes and a member of (trifluoromethyl)benzenes. It is functionally related to a trans-cinnamic acid.

Names & identifiers

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

Names & synonyms

3-(Trifluoromethyl)cinnamic acid67801-07-4779-89-5(E)-m-(Trifluoromethyl)cinnamic acidm-(trifluoromethyl)cinnamic acid3-(3-(Trifluoromethyl)phenyl)acrylic acidtrans-3-(trifluoromethyl)cinnamic acidP9LJ9ON37W2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, (2E)-CINACALCET (M8)EINECS 212-301-6EINECS 267-126-8

Show more names

Cinacalcet Impurity IICinacalcet Impurity 97(E)-3-(Trifluoromethyl)cinnamic acid3-(Trifluoromethyl)-trans-cinnamic acidCinacalcet Impurity 8/Cinacalcet cinnamic acid impurity

2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-(2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acidm-(Trifluoromethyl)cinnamic acid, (trans)-2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-, (2E)-DTXSID908868953-(3-(Trifluoromethyl)phenyl)-2-propenoic acid3-[3-(TRIFLUOROMETHYL)PHENYL]-2-PROPENOIC ACID3-[3-(trifluoromethyl)phenyl]acrylic acid

Database identifiers

CAS: 67801-07-4、779-89-5
PubChem CID: 719451
DTXSID: DTXSID90886895
ChEMBL: CHEMBL2387748
ChEBI: CHEBI:60704
UNII: P9LJ9ON37W
EC Number: 212-301-6、267-126-8
Nikkaji: J103A、J534.255D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 258

Physicochemical properties

Melting point: 135 · 135-136 °C
Boiling point: 289.6 · 289.6±35.0 °C(Predicted)
Density: 1.363 · 1.363±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 4.25 · 4.25±0.10(Predicted)
color: White to Off-White
CAS DataBase Reference: 67801 · 67801-07-4
FDA UNII: 9 LJ9ON37W · P9LJ9ON37W
EPA Substance Registry System: (E)-m-(Trifluoromethyl)cinnamic acid (67801-07-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory InformationStatus: Active Update: 08-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27193

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 2 items

2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-: INACTIVE

2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, (2E)-: INACTIVE

Applications

Uses(E)-3-(3-(Trifluoromethyl)phenyl)acrylic Acid is a reagent used in the preparation of new tacrine-cinnamic acid hybrids as cholinerase inhibitors against Alzheimer’s diseases.

Suppliers31 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

烟台盛凯伦生物制品有限公司13356901049 · [email protected]

上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]

烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]

Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position.