CAS 1513-25-3|3-Chloro-4-fluorotoluene|2-chloro-1-fluoro-4-methylbenzene|2-chloro-1-fluoro-4-methylbenzene|3-Chloro-4-fluorotoluene 97%|3-Chloro-4-fluorotoluene|3-氯-4-氟甲苯|2-Chloro-1-fluoro-4-met...

Molecular Formula

C₇H₆ClF

Molecular Mass

144.5739432

Exact Mass

144.01420609

InChI

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

InChIKey

IKNQPNLSEBWZKX-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(c1)Cl)F

Isomeric Smiles

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

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

13.674291

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2736589

Synonyms

3-Chloro-4-fluorotoluene3-Chloro-4-fluorotoluene 97%3-Chloro-4-fluorotoluene3-氯-4-氟甲苯2-Chloro-1-fluoro-4-methylbenzene

IUPAC name

2-chloro-1-fluoro-4-methylbenzene

IUPAC Traditional name

2-chloro-1-fluoro-4-methylbenzene

CAS Number

1513-25-3

MDL Number

MFCD00079730

PubChem SID

160970788

Storage Warning

IRRITANT

Flammable/Irritant

TSCA Listed

false

MSDS Link

Download link

European Hazard Symbols

Irritant (Xi)

Safety Statements

16-26-36

German water hazard class

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

10-36/37/38

GHS Hazard statements

H226-H315-H319-H335

UN Number

1993

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

GHS Signal Word

Warning

Packing Group

RID/ADR

UN 1993 3/PG 3

Personal Protective Equipment

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

Hazard Class

Physical Property

Product Information

Purity

98%

Linear Formula

CH3C6H3(Cl)F

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Academic Data

PubChem

2736589

Synonyms

3-Chloro-4-fluorotoluene3-Chloro-4-fluorotoluene 97%3-Chloro-4-fluorotoluene3-氯-4-氟甲苯2-Chloro-1-fluoro-4-methylbenzene

IUPAC name

2-chloro-1-fluoro-4-methylbenzene

IUPAC Traditional name

2-chloro-1-fluoro-4-methylbenzene

CAS Number

1513-25-3

MDL Number

MFCD00079730

PubChem SID

160970788

No Data Available

Click here to submit data

Safety Information

Physical Property

Product Information

Purity

98%

Linear Formula

CH3C6H3(Cl)F

Molecule

ID:7481