CAS 256417-10-4|2,6-Difluoro-p-anisaldehyde|2,6-Difluoro-4-methoxybenzaldehyde|2,6-difluoro-4-methoxybenzaldehyde|2,6-difluoro-4-methoxybenzaldehyde|3,5-Difluoro-4-formylanisole|2,6-Difluoro-4-metho...

Molecular Formula

C₈H₆F₂O₂

Molecular Mass

172.1288464

Exact Mass

172.03358587

InChI

InChI=1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3

InChIKey

ZYABCGOTMDPUDD-UHFFFAOYSA-N

Canonic Smiles

COc1cc(F)c(c(c1)F)C=O

Isomeric Smiles

C(=O)c1c(cc(cc1F)OC)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8134807

LogD (pH = 7.4)

1.8134807

Log P

1.8134807

Molar Refractivity

39.538

Polarizability

14.274339

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

3703713

Synonyms

2,6-Difluoro-p-anisaldehyde2,6-Difluoro-4-methoxybenzaldehyde3,5-Difluoro-4-formylanisole2,6-Difluoro-4-methoxybenzaldehyde2,6-二氟-4-甲氧基苯甲醛

IUPAC name

2,6-difluoro-4-methoxybenzaldehyde

IUPAC Traditional name

2,6-difluoro-4-methoxybenzaldehyde

CAS Number

256417-10-4

MDL Number

MFCD04114368

PubChem SID

24882449162036616

Storage Warning

IRRITANT

Irritant/Corrosive/Air Sensitive/Store under Argon

Air Sensitive

TSCA Listed

false

否

MSDS Link

Download link

Safety Statements

26-36/37/39

26-37

German water hazard class

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

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 Signal Word

Danger

GHS Hazard statements

H315-H318

H315-H319-H335

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Precautionary statements

P280-P305+P351+P338

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Risk Statements

38-41

36/37/38

Product Information

Purity

95+%

97%

98%

Empirical Formula (Hill Notation)

C8H6F2O2

Physical Property

Melting Point

73-77°C

73-77 °C(lit.)

73-77°C

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

631809

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

3703713

Synonyms

2,6-Difluoro-p-anisaldehyde2,6-Difluoro-4-methoxybenzaldehyde3,5-Difluoro-4-formylanisole2,6-Difluoro-4-methoxybenzaldehyde2,6-二氟-4-甲氧基苯甲醛

IUPAC name

2,6-difluoro-4-methoxybenzaldehyde

IUPAC Traditional name

2,6-difluoro-4-methoxybenzaldehyde

CAS Number

256417-10-4

MDL Number

MFCD04114368

PubChem SID

24882449162036616

Safety Information

Product Information

Purity

95+%

97%

98%

Empirical Formula (Hill Notation)

C8H6F2O2

Physical Property

Melting Point

73-77°C

73-77 °C(lit.)

73-77°C

Sigma Aldrich

631809

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:70908