CAS 93439-37-3|2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one|2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one|2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone|2-chloro-1-(2,3...

Molecular Formula

C₁₀H₉ClO₃

Molecular Mass

212.62966

Exact Mass

212.02402183

InChI

InChI=1S/C10H9ClO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2

InChIKey

ILEYSCVQRULQKW-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)c1ccc2c(c1)OCCO2

Isomeric Smiles

O1c2c(ccc(c2)C(=O)CCl)OCC1

JChem

Acid pKa

15.408383

H Acceptors

H Donor

LogD (pH = 5.5)

1.5813696

LogD (pH = 7.4)

1.5813696

Log P

1.5813696

Molar Refractivity

52.1714

Polarizability

20.25507

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2780178

Synonyms

2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone6-氯乙酰基-1,4-苯并二噁烷6-Chloroacetyl-1,4-benzodioxane

IUPAC Traditional name

2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

IUPAC name

2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

CAS Number

93439-37-3

MDL Number

MFCD00099407

PubChem SID

24877897162070485

Safety Information

GHS Signal Word

Warning

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

26-36

P261-P305+P351+P338

Download link

H315-H319-H335

dust mask type N95 (US), Eyeshields, Gloves

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

Product Information

97%

C10H9ClO3

Physical Property

137-140 °C(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

532584

Packaging
25 g in glass bottle

No Data Available

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Academic Data

CAS Number

MDL Number

PubChem SID

532584

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Synonyms

2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone6-氯乙酰基-1,4-苯并二噁烷6-Chloroacetyl-1,4-benzodioxane

IUPAC Traditional name

2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

IUPAC name

2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

Safety Information

GHS Signal Word

Warning

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

26-36

P261-P305+P351+P338

Download link

H315-H319-H335

dust mask type N95 (US), Eyeshields, Gloves

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

Product Information

97%

C10H9ClO3

Physical Property

137-140 °C(lit.)

Molecule

ID:83367