CAS 31928-47-9|4-Bromo-2-chloroiodobenzene|4-bromo-2-chloro-1-iodobenzene|4-bromo-2-chloro-1-iodobenzene|1-Bromo-3-chloro-4-iodobenzene|4-溴-2-氯-1-碘苯|4-Bromo-2-chloro-1-iodobenzene|4-BroMo-2-chlo...

Molecular Formula

C₆H₃BrClI

Molecular Mass

317.34949

Exact Mass

315.81513778

InChI

InChI=1S/C6H3BrClI/c7-4-1-2-6(9)5(8)3-4/h1-3H

InChIKey

OHHKQBZOURGNLR-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(c(c1)Cl)I

Isomeric Smiles

c1c(cc(c(c1)I)Cl)Br

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.2749877

LogD (pH = 7.4)

4.2749877

Log P

4.2749877

Molar Refractivity

51.8481

Polarizability

20.587255

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2735547

IUPAC Traditional name

4-bromo-2-chloro-1-iodobenzene

Synonyms

4-Bromo-2-chloroiodobenzene1-Bromo-3-chloro-4-iodobenzene4-溴-2-氯-1-碘苯4-Bromo-2-chloro-1-iodobenzene4-BroMo-2-chloro-1-iodobenzene

IUPAC name

4-bromo-2-chloro-1-iodobenzene

PubChem SID

CAS Number

Beilstein Number

MDL Number

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

Storage Warning

Irritant

Light Sensitive

Safety Statements

26-37

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

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

Irritant (Xi)

H315-H319-H335

36/37/38

Physical Property

Product Information

99%

97%

No Data Available

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No Data Available

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点击上传数据

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Academic Data

PubChem

2735547

IUPAC Traditional name

4-bromo-2-chloro-1-iodobenzene

Synonyms

4-Bromo-2-chloroiodobenzene1-Bromo-3-chloro-4-iodobenzene4-溴-2-氯-1-碘苯4-Bromo-2-chloro-1-iodobenzene4-BroMo-2-chloro-1-iodobenzene

IUPAC name

4-bromo-2-chloro-1-iodobenzene

PubChem SID

CAS Number

Beilstein Number

MDL Number

No Data Available

Click here to submit data

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

Storage Warning

Irritant

Light Sensitive

Safety Statements

26-37

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

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

Irritant (Xi)

H315-H319-H335

36/37/38

Physical Property

Product Information

99%

97%

Molecule

ID:6830