CAS 452-75-5|4-Chloro-2-fluorotoluene|4-chloro-2-fluoro-1-methylbenzene|4-chloro-2-fluoro-1-methylbenzene|4-氯-2-氟甲苯|4-Chloro-2-fluorotoluene 99%|4-Chloro-2-fluorotoluene|4-chloro-2-fluoro-1-meth...

Molecular Formula

C₇H₆ClF

Molecular Mass

144.5739432

Exact Mass

144.01420609

InChI

InChI=1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChIKey

MKFCYQTVSDCXAQ-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)F)C

Isomeric Smiles

c1c(cc(c(c1)C)F)Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.233414

LogD (pH = 7.4)

3.233414

Log P

3.233414

Molar Refractivity

36.1204

Polarizability

13.649771

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

520630

Synonyms

4-Chloro-2-fluorotoluene4-氯-2-氟甲苯4-Chloro-2-fluorotoluene 99%4-Chloro-2-fluorotoluene4-chloro-2-fluoro-1-methylbenzene

IUPAC Traditional name

4-chloro-2-fluoro-1-methylbenzene

IUPAC name

4-chloro-2-fluoro-1-methylbenzene

MDL Number

MFCD00000571

PubChem SID

24854886160970485

Beilstein Number

1931682

TSCA Listed

false

否

Storage Warning

FLAMMABLE

Irritant/Flammable

MSDS Link

Download link

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

1993

UN1993

UN 1993 3/PG 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

16-26-36/37/39

23-26-37

P261-P305+P351+P338

P261-P280G-P305+P351+P338

H226-H315-H319-H335

Physical Property

Product Information

99%

≥99%

95%

CH3C6H3(Cl)F

No Data Available

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No Data Available

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Sigma Aldrich

247707

Packaging
25 g in glass bottle

No Data Available

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Academic Data

PubChem

520630

Synonyms

4-Chloro-2-fluorotoluene4-氯-2-氟甲苯4-Chloro-2-fluorotoluene 99%4-Chloro-2-fluorotoluene4-chloro-2-fluoro-1-methylbenzene

IUPAC Traditional name

4-chloro-2-fluoro-1-methylbenzene

IUPAC name

4-chloro-2-fluoro-1-methylbenzene

MDL Number

PubChem SID

Beilstein Number

247707

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Physical Property

Product Information

99%

≥99%

95%

CH3C6H3(Cl)F

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

Refractive Index

1.4980

1.498

n20/D 1.498(lit.)

Flash Point

51°C

123.8 °F

51 °C

51°C(123°F)

Hydrophobicity(logP)

3.497

Molecule

ID:7178