CAS 540-36-3|1,4-difluorobenzene|1,4-difluorobenzene|1,4-Difluorobenzene|1,4-Difluorobenzene 99%|1,4-Difluorobenzene|1,4-二氟苯|p-Difluorobenzene

Molecular Formula

C₆H₄F₂

Molecular Mass

114.0927664

Exact Mass

114.02810657

InChI

InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H

InChIKey

QUGUFLJIAFISSW-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)F

Isomeric Smiles

Fc1ccc(cc1)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2586496

LogD (pH = 7.4)

2.2586496

Log P

2.2586496

Molar Refractivity

26.4908

Polarizability

9.740691

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

10892

IUPAC name

1,4-difluorobenzene

IUPAC Traditional name

1,4-difluorobenzene

Synonyms

1,4-Difluorobenzene1,4-Difluorobenzene 99%1,4-Difluorobenzene1,4-二氟苯p-Difluorobenzene

MDL Number

MFCD00000344

Beilstein Number

1904541

Physical Property

Product Information

Storage Warning

FLAMMABLE

Highly Flammable/Harmful/Moisture Sensitive/Store under Argon

MSDS Link

Download link

false

否

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

11-20

11-36

H225

H225-H319

P210

P210-P260-P233-P243-P305+P351+P338

16-29-33

16-23-26-33

UN 1993 3/PG 2

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

1993

UN1993

No Data Available

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No Data Available

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Sigma Aldrich

D102202

Packaging
25, 100 g in glass bottle

From Data Sources

• For conditions for lithiation to give 2,5-difluorophenyllithium, see: Synlett, 1646 (2004).

Academic Data

PubChem

10892

IUPAC name

1,4-difluorobenzene

IUPAC Traditional name

1,4-difluorobenzene

Synonyms

1,4-Difluorobenzene1,4-Difluorobenzene 99%1,4-Difluorobenzene1,4-二氟苯p-Difluorobenzene

MDL Number

MFCD00000344

Beilstein Number

1904541

Sigma Aldrich

D102202

Packaging
25, 100 g in glass bottle

From Data Sources

• For conditions for lithiation to give 2,5-difluorophenyllithium, see: Synlett, 1646 (2004).

Physical Property

Product Information

Safety Information

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 (F)

Irritant (Xi)

Molecule

ID:9064