CAS 367-23-7|1,2,4-trifluorobenzene|benzene, 1,2,4-trifluoro-|1,2,4-Trifluorobenzene|1,2,4-Trifluorobenzene 99%|1,2,4-Trifluorobenzene|1,2,4-三氟苯

Molecular Formula

C₆H₃F₃

Molecular Mass

132.0832296

Exact Mass

132.01868476

InChI

InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey

PEBWOGPSYUIOBP-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c(c1)F)F

Isomeric Smiles

c1c(F)c(ccc1F)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4013517

LogD (pH = 7.4)

2.4013517

Log P

2.4013517

Molar Refractivity

26.7072

Polarizability

9.620447

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

67773

IUPAC name

1,2,4-trifluorobenzene

IUPAC Traditional name

benzene, 1,2,4-trifluoro-

Synonyms

1,2,4-Trifluorobenzene1,2,4-Trifluorobenzene 99%1,2,4-Trifluorobenzene1,2,4-三氟苯

MDL Number

PubChem SID

Beilstein Number

MSDS Link

TSCA Listed

false

否

Storage Warning

IRRITANT, FLAMMABLE

Highly Flammable/Irritant

GHS Signal Word

Danger

GHS Precautionary statements

P210-P261-P305+P351+P338

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

RID/ADR

UN 1993 3/PG 2

Risk Statements

11-36/37/38

Packing Group

European Hazard Symbols

Flammable (F)

Irritant (Xi)

UN Number

1993

UN2387

GHS Pictograms

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

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Safety Statements

16-26-36

9-16-23-26-33-37

Hazard Class

GHS Hazard statements

H225-H315-H319-H335

German water hazard class

Product Information

Purity

98%

98+%

Empirical Formula (Hill Notation)

C6H3F3

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

196843

Packaging
5, 25 g in glass bottle

No Data Available

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Academic Data

PubChem

67773

IUPAC name

1,2,4-trifluorobenzene

IUPAC Traditional name

benzene, 1,2,4-trifluoro-

Synonyms

1,2,4-Trifluorobenzene1,2,4-Trifluorobenzene 99%1,2,4-Trifluorobenzene1,2,4-三氟苯

MDL Number

MFCD00000305

PubChem SID

16097150424851801

Beilstein Number

2042865

Safety Information

Product Information

Purity

98%

98+%

Empirical Formula (Hill Notation)

C6H3F3

Physical Property

Sigma Aldrich

196843

Packaging
5, 25 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:8197