CAS 247170-17-8|(2E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid|2,4,5-Trifluorocinnamic acid|(2E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid|2,4,5-Trifluorocinnamic acid 98%|3-(2,4,5-trifluorophenyl...

Molecular Formula

C₉H₅F₃O₂

Molecular Mass

202.1300096

Exact Mass

202.02416406

InChI

InChI=1S/C9H5F3O2/c10-6-4-8(12)7(11)3-5(6)1-2-9(13)14/h1-4H,(H,13,14)/b2-1+

InChIKey

KFVQEUPEGKJFCW-OWOJBTEDSA-N

Canonic Smiles

OC(=O)/C=C/c1cc(F)c(cc1F)F

Isomeric Smiles

C(=C\c1c(cc(c(c1)F)F)F)/C(=O)O

JChem

Acid pKa

2.9730837

H Acceptors

H Donor

LogD (pH = 5.5)

0.07714832

LogD (pH = 7.4)

-0.91350883

Log P

2.564192

Molar Refractivity

43.7091

Polarizability

15.555974

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

5708777

IUPAC name

(2E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid 3-(2,4,5-trifluorophenyl)prop-2-enoic acid

Synonyms

2,4,5-Trifluorocinnamic acid2,4,5-Trifluorocinnamic acid 98%2,4,5-Trifluorocinnamic acid2,4,5-三氟苯丙烯酸

IUPAC Traditional name

(2E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid 3-(2,4,5-trifluorophenyl)prop-2-enoic acid

PubChem SID

160971515

MDL Number

MFCD00061211

CAS Number

247170-17-8

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

Irritant (Xi)

36/37/38

26-37

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

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

Physical Property

187-189°C

184-188°C

Product Information

97+%

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Academic Data

PubChem SID

MDL Number

CAS Number

No Data Available

Click here to submit data

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

Irritant (Xi)

36/37/38

26-37

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

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

Physical Property

187-189°C

184-188°C

Product Information

97+%

IUPAC name

(2E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid 3-(2,4,5-trifluorophenyl)prop-2-enoic acid

Synonyms

2,4,5-Trifluorocinnamic acid2,4,5-Trifluorocinnamic acid 98%2,4,5-Trifluorocinnamic acid2,4,5-三氟苯丙烯酸

IUPAC Traditional name

(2E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid 3-(2,4,5-trifluorophenyl)prop-2-enoic acid

Molecule

ID:8208