CAS 56525-63-4|methyl 3-chloro-4-methylbenzoate|Methyl 3-chloro-4-methylbenzoate|Methyl 3-chloro-p-toluate|2-Chloro-4-(methoxycarbonyl)toluene|methyl 3-chloro-4-methylbenzoate|Methyl-3-chloro-4-meth...

Molecular Formula

C₉H₉ClO₂

Molecular Mass

184.61956

Exact Mass

184.02910721

InChI

InChI=1S/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3

InChIKey

KTFQDZCNPGFKAH-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(c(c1)Cl)C

Isomeric Smiles

O=C(c1ccc(c(c1)Cl)C)OC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.094189

LogD (pH = 7.4)

3.094189

Log P

3.094189

Molar Refractivity

47.9293

Polarizability

18.39985

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2801405

IUPAC name

methyl 3-chloro-4-methylbenzoate

Synonyms

Methyl 3-chloro-4-methylbenzoateMethyl 3-chloro-p-toluate2-Chloro-4-(methoxycarbonyl)tolueneMethyl-3-chloro-4-methylbenzoate3-氯-4-甲基苯甲酸甲酯Methyl 3-chloro-4-methylbenzoate3-Chloro-4-methylbenzoic acid methyl ester

IUPAC Traditional name

methyl 3-chloro-4-methylbenzoate

CAS Number

56525-63-4

MDL Number

MFCD00205141

PubChem SID

162074125

Safety Information

Storage Warning

Irritant

Risk Statements

36/38

European Hazard Symbols

Irritant (Xi)

Safety Statements

26-37

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

GHS Hazard statements

H315-H319

GHS Precautionary statements

P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

TSCA Listed

否

Product Information

Purity

97%

95%

Physical Property

Boiling Point

119-120°C/10mm

Melting Point

27-29°C

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Academic Data

PubChem

2801405

IUPAC name

methyl 3-chloro-4-methylbenzoate

Synonyms

IUPAC Traditional name

methyl 3-chloro-4-methylbenzoate

CAS Number

56525-63-4

MDL Number

MFCD00205141

PubChem SID

162074125

Safety Information

Storage Warning

Irritant

Risk Statements

36/38

European Hazard Symbols

Irritant (Xi)

Safety Statements

26-37

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

GHS Hazard statements

H315-H319

GHS Precautionary statements

P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

TSCA Listed

否

Product Information

Purity

97%

95%

Physical Property

Boiling Point

119-120°C/10mm

Melting Point

27-29°C

No Data Available

Click here to submit data

Molecule

ID:87009