CAS 381-98-6 2-(Trifluoromethyl)acrylic acid (HCID 587694)

Names & identifiers

Preferred name: 2-(Trifluoromethyl)acrylic acid
IUPAC: 2-(trifluoromethyl)prop-2-enoic acid
English name: 2-(Trifluoromethyl)acrylic acid
Molecular formula: C4H3F3O2
Molecular weight: 140.06

Names & synonyms

2-(Trifluoromethyl)acrylic acid381-98-6DTXSID70343138RefChem:462533DTXCID30294218627-408-72-(Trifluoromethyl)propenoic acid2-(trifluoromethyl)prop-2-enoic acidTFMAAMFCD00042424trifluoromethacrylic acidtrifluoromethylacrylic acid

Show more names

2-(Trifluoα-TrifluoromethylacrylateTrifluoroMethyl)acrylic ac2-(Trifluoromethyl)AcrylicAci-(Trifluoromethyl)acrylic acid2-(trifluoromethyl)-2-propenoate2-(trifluoromethyl)prop-2-enoate

2-Propenoic acid, 2-(trifluoromethyl)-2-trifluoromethylacrylic acidalpha-trifluoromethylacrylic acida-trifluoromethylacrylic acidSCHEMBL203037SCHEMBL8648182-trifluoromethyl-acrylic acid2-trifluoromethylpropenoic acid

Database identifiers

CAS: 381-98-6
PubChem CID: 587694
DTXSID: DTXSID70343138
EC Number: 627-408-7
Nikkaji: J393.216H

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 51 · 51-52 °C (lit.)
Boiling point: 86 °C · 86 °C
Density: 1.3949 · 1.3949 (estimate)
Flash point: 179 °F · 179 °F
storage temp.: 2 · 2-8°C
form: Chunks
pka: 2.07 · 2.07±0.11(Predicted)
color: Light yellow
Water Solubility: Soluble in water.
InChI: InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKey: VLSRKCIBHNJFHA-UHFFFAOYSA-N
SMILES: C(O)(=O)C(C(F)(F)F)=C
CAS DataBase Reference: 381 · 381-98-6(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-37/39
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29161900 · 29161900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29161900
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45-37/39
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications · 2 items

Uses2-(Trifluoromethyl)acrylic acid is used as an acidic functional monomer for molecular imprinting of nicotine. And also used in the conventional functional monomer methacrylic acid.

Uses2-(Trifluoromethyl)acrylic acid (TFMAA) is a strong acid functional monomer, which shows a good performance in the solid-phase extraction of domoic acid. It can also be used in the preparation of molecularly imprinted polymers that show diastereoselectivity for cinchona alkaloids.