CAS 332104-57-1|2-bromo-4-chloro-6-(2-chlorobenzoyl)phenol|3-Bromo-2',5-dichloro-2-hydroxybenzophenone|2-bromo-4-chloro-6-(2-chlorobenzoyl)phenol|3-溴-2′,5-二氯-2-羟基二苯甲酮|3-Bromo-2′,5-dichlor...

Molecular Formula

C₁₃H₇BrCl₂O₂

Molecular Mass

346.00348

Exact Mass

343.90064682

InChI

InChI=1S/C13H7BrCl2O2/c14-10-6-7(15)5-9(13(10)18)12(17)8-3-1-2-4-11(8)16/h1-6,18H

InChIKey

YDOASFSKJSZNAO-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(Br)c(c(c1)C(=O)c1ccccc1Cl)O

Isomeric Smiles

Clc1c(cccc1)C(=O)c1cc(cc(c1O)Br)Cl

JChem

Acid pKa

6.280268

H Acceptors

H Donor

LogD (pH = 5.5)

5.689847

LogD (pH = 7.4)

4.6508155

Log P

5.7558756

Molar Refractivity

75.8468

Polarizability

29.241592

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

false

Academic Data

PubChem

689070

IUPAC name

2-bromo-4-chloro-6-(2-chlorobenzoyl)phenol

Synonyms

3-Bromo-2',5-dichloro-2-hydroxybenzophenone3-溴-2′,5-二氯-2-羟基二苯甲酮3-Bromo-2′,5-dichloro-2-hydroxybenzophenone

IUPAC Traditional name

2-bromo-4-chloro-6-(2-chlorobenzoyl)phenol

PubChem SID

16204028424878571

CAS Number

332104-57-1

MDL Number

MFCD02683002

Safety Information

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

Safety Statements

26-36

Warning

dust mask type N95 (US), Eyeshields, Gloves

P261-P305+P351+P338

Irritant (Xi)

36/37/38

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

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Physical Property

83-86 °C(lit.)

Product Information

BrC6H2(Cl)(OH)COC6H4Cl

No Data Available

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No Data Available

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Sigma Aldrich

541974

Packaging
5 g in glass bottle

No Data Available

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Academic Data

PubChem

689070

IUPAC name

2-bromo-4-chloro-6-(2-chlorobenzoyl)phenol

Synonyms

3-Bromo-2',5-dichloro-2-hydroxybenzophenone3-溴-2′,5-二氯-2-羟基二苯甲酮3-Bromo-2′,5-dichloro-2-hydroxybenzophenone

IUPAC Traditional name

2-bromo-4-chloro-6-(2-chlorobenzoyl)phenol

PubChem SID

CAS Number

MDL Number

541974

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

Safety Statements

26-36

Warning

dust mask type N95 (US), Eyeshields, Gloves

P261-P305+P351+P338

Irritant (Xi)

36/37/38

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

Download link

Physical Property

83-86 °C(lit.)

Product Information

BrC6H2(Cl)(OH)COC6H4Cl

Molecule

ID:75366