CAS 209995-38-0|2-(2,4,5-trifluorophenyl)acetic acid|(2,4,5-trifluorophenyl)acetic acid|2,4,5-Trifluorophenylacetic acid|2,4,5-Trifluorophenylacetic acid 97%|2-(2,4,5-trifluorophenyl)acetic acid|2,4...

Molecular Formula

C₈H₅F₃O₂

Molecular Mass

190.1193096

Exact Mass

190.02416406

InChI

InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

InChIKey

YSQLGGQUQDTBSL-UHFFFAOYSA-N

Canonic Smiles

OC(=O)Cc1cc(F)c(cc1F)F

Isomeric Smiles

c1(c(cc(c(c1)CC(=O)O)F)F)F

JChem

Acid pKa

2.8223653

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5822905

LogD (pH = 7.4)

-1.4531511

Log P

2.0391

Molar Refractivity

38.0148

Polarizability

13.973151

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2777950

IUPAC name

2-(2,4,5-trifluorophenyl)acetic acid

IUPAC Traditional name

(2,4,5-trifluorophenyl)acetic acid

Synonyms

2,4,5-Trifluorophenylacetic acid2,4,5-Trifluorophenylacetic acid 97%2-(2,4,5-trifluorophenyl)acetic acid2,4,5-三氟苯乙酸2,4,5-Trifluorophenylacetic acid

CAS Number

209995-38-0

PubChem SID

24885793160971581

MDL Number

MFCD00082479

Product Information

TSCA Listed

false

否

Storage Warning

IRRITANT

Irritant/Corrosive

MSDS Link

Download link

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

37/38-41

36/37/38

GHS Signal Word

Danger

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P280-P305+P351+P338

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Safety Statements

26-39

26-37

German water hazard class

GHS Hazard statements

H315-H318-H335

H315-H319-H335

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Physical Property

Melting Point

121-125°C

121-125 °C

121-124°C

Hydrophobicity(logP)

1.773

No Data Available

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No Data Available

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Sigma Aldrich

684155

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

2777950

IUPAC name

2-(2,4,5-trifluorophenyl)acetic acid

IUPAC Traditional name

(2,4,5-trifluorophenyl)acetic acid

Synonyms

2,4,5-Trifluorophenylacetic acid2,4,5-Trifluorophenylacetic acid 97%2-(2,4,5-trifluorophenyl)acetic acid2,4,5-三氟苯乙酸2,4,5-Trifluorophenylacetic acid

CAS Number

PubChem SID

MDL Number

684155

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Product Information

Safety Information

Physical Property

Melting Point

121-125°C

121-125 °C

121-124°C

Hydrophobicity(logP)

1.773

Molecule

ID:8274