(2E)-3-(2,5-Difluorophenyl)acrylic acid

Basic Information

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CAS Number

112898-33-6

Molecular Formula

C9H6F2O2

Molecular Weight

184.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

138-140 °C

Boiling Point

278.5°Cat760mmHg

Flash Point

122.2°C

SMILES

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C1=CC(=C(C=C1F)C=CC(=O)O)F

InChI

InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+

InChIKey

XAWHCSKPALFWBI-DAFODLJHSA-N

LogP

2.0626

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

216

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(2,5-Difluorophenyl)acrylic acid
CS-W017015
EN300-833007
trans-2,5-Difluorocinnamic acid, 98%
AC-26150
CK2545
2-Propenoic acid, 3-(2,5-difluorophenyl)-, (2E)-
Z2942852737
112898-33-6
SCHEMBL65190
PS-6473
(2E)-3-(2,5-Difluorophenyl)-2-propenoic acid
AB01331123-02
(E)-3-(2,5-difluorophenyl)prop-2-enoic acid
(2E)-3-(2,5-Difluorophenyl)-2-propenoic acid #
3-(2,5-difluorophenyl)prop-2-enoic acid
2,5-difluorocinnamicacid
MFCD00010318
A21676
J-002867
375368-88-0
EN300-53906
AMY2951
NCGC00337138-01
2,5-Difluorocinnamic acid
trans-2,5-Difluorocinnamic acid
AKOS009158337
(2E)-3-(2,5-Difluorophenyl)acrylic acid
(E)-3-(2,5-Difluorophenyl)acrylic acid
(2E)-3-(2,5-difluorophenyl)prop-2-enoic acid
F0001-0277

MDL Number

MFCD00010318

Customs Code

2916399090

FAQ

What is (2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6)?

(2E)-3-(2,5-Difluorophenyl)acrylic acid, also known as difluorophenylacrylic acid, is a chemical compound with a CAS number of 112898-33-6. It is a colorless to white crystalline solid with a pungent odor. This compound is primarily used in the synthesis of pharmaceuticals and agrochemicals due to its structural properties and reactivity.

What are the main uses of (2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6)?

(2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6) is widely used in the pharmaceutical industry for developing new drugs, particularly in the treatment of neurological and psychiatric disorders. It is also utilized in the agrochemical sector for developing herbicides and pesticides, and in research for its unique chemical properties.

Is (2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6) safe?

(2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6) is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, such as wearing gloves and protective eyewear, and to ensure good ventilation during handling. Spills should be cleaned up immediately, and this compound should be stored away from heat sources and direct sunlight to minimize the risk of degradation.

How should (2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6) be stored?

(2E)-3-(2,5-Difluorophenyl)acrylic acid (CAS: 112898-33-6) should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. It is also advisable to store it in a chemical cabinet or a secure area to prevent unauthorized access and ensure safety during transport and storage.