CAS 25781-92-4|5-chloro-2-nitro-N-phenylaniline|5-Chloro-2-nitrodiphenylamine|5-chloro-2-nitro-N-phenylaniline|2-Anilino-4-chloronitrobenzene|5-Chloro-2-nitro-N-phenyl-benzenamine|5-Chloro-2-nitro-d...

Molecular Formula

C₁₂H₉ClN₂O₂

Molecular Mass

248.66506

Exact Mass

248.03525522

InChI

InChI=1S/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H

InChIKey

FPKHZBVGKMTUHB-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)Nc1ccccc1)[N+](=O)[O-]

Isomeric Smiles

Clc1cc(c(cc1)[N+](=O)[O-])Nc1ccccc1

JChem

Acid pKa

15.68213

H Acceptors

H Donor

LogD (pH = 5.5)

5.2572002

LogD (pH = 7.4)

5.2572002

Log P

5.2572002

Molar Refractivity

65.6695

Polarizability

24.811369

Polar Surface Area

55.17

Rotatable Bonds

Lipinski's Rule of Five

false

Academic Data

PubChem

117635

Synonyms

5-Chloro-2-nitrodiphenylamine2-Anilino-4-chloronitrobenzene5-Chloro-2-nitro-N-phenyl-benzenamine2-Nitro-5-chlorodiphenylamine5-Chloro-2-nitro-diphenylamine5-Chloro-2-nitro-N-phenylbenzenamine5-氯-2-硝基二苯胺5-Chloro-2-nitrodiphenylamine

IUPAC Traditional name

5-chloro-2-nitro-N-phenylaniline

IUPAC name

5-chloro-2-nitro-N-phenylaniline

CAS Number

25781-92-4

PubChem SID

162077176

MDL Number

MFCD00007287

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

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

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

Safety Statements

26-37

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

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

Physical Property

Apperance

Orange Solid

Solubility

Dichloromethane

Melting Point

108-111°C

Product Information

Certificate of Analysis

Download link

Purity

98%

No Data Available

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No Data Available

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TRC

C373920

Reagent used in the preparation of substituted Phenylbenzimidazoles.

From Data Sources

• Palmer, B., et al.: J. Med. Chem., 41, 5457 (1995)

• Evans, D., et al.: Eur. J. Med. Chem., 31, 635 (1995)

• Curotto, G., et al.: Bioorg. Med. Chem. Lett., 5, 3011 (1995)

Academic Data

PubChem

117635

Synonyms

IUPAC Traditional name

5-chloro-2-nitro-N-phenylaniline

IUPAC name

5-chloro-2-nitro-N-phenylaniline

CAS Number

25781-92-4

PubChem SID

162077176

MDL Number

MFCD00007287

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

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

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

Safety Statements

26-37

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

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

Physical Property

Apperance

Orange Solid

Solubility

Dichloromethane

Melting Point

108-111°C

Product Information

Certificate of Analysis

Download link

Purity

98%

TRC

C373920

Reagent used in the preparation of substituted Phenylbenzimidazoles.

From Data Sources

• Palmer, B., et al.: J. Med. Chem., 41, 5457 (1995)

• Evans, D., et al.: Eur. J. Med. Chem., 31, 635 (1995)

• Curotto, G., et al.: Bioorg. Med. Chem. Lett., 5, 3011 (1995)

Molecule

ID:90361