CAS 2845-78-5|4-bromo-5-phenyl-2H-pyrazol-3-amine|4-bromo-3-phenyl-1H-pyrazol-5-amine|4-bromo-3-phenyl-1H-pyrazol-5-amine|4-Bromo-3-phenyl-1H-pyrazol-5-amine|5-Amino-4-bromo-3-phenyl-1H-pyrazole 95+...

Molecular Formula

C₉H₈BrN₃

Molecular Mass

238.08392

Exact Mass

236.99015927

InChI

InChI=1S/C9H8BrN3/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13)

InChIKey

QTNVXMOPTHGCII-UHFFFAOYSA-N

Canonic Smiles

Brc1c(N)[nH]nc1c1ccccc1

Isomeric Smiles

n1c(c2ccccc2)c(c([nH]1)N)Br

JChem

Acid pKa

14.229268

H Acceptors

H Donor

LogD (pH = 5.5)

2.3764317

LogD (pH = 7.4)

2.3789089

Log P

2.3789406

Molar Refractivity

57.3958

Polarizability

21.93059

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

594319

IUPAC Traditional name

4-bromo-5-phenyl-2H-pyrazol-3-amine 4-bromo-5-phenyl-1H-pyrazol-3-amine

Synonyms

4-bromo-3-phenyl-1H-pyrazol-5-amine4-Bromo-3-phenyl-1H-pyrazol-5-amine5-Amino-4-bromo-3-phenyl-1H-pyrazole 95+%3-Amino-4-bromo-5-phenylpyrazole 5-Amino-4-bromo-3-phenylpyrazole3-氨基-4-溴-5-苯基-1H-吡唑3-Amino-4-bromo-5-phenyl-1H-pyrazole4-Bromo-5-phenyl-1H-pyrazol-3-amine

IUPAC name

4-bromo-3-phenyl-1H-pyrazol-5-amine 4-bromo-5-phenyl-1H-pyrazol-3-amine

CAS Number

2845-78-5

PubChem SID

162074139

Safety Information

Storage Warning

Irritant/Light Sensitive

MSDS Link

Download link

Safety Statements

26-37

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

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

GHS Precautionary statements

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

Risk Statements

36/37/38

Physical Property

Product Information

Purity

95%

96%

Certificate of Analysis

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No Data Available

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Academic Data

PubChem

594319

IUPAC Traditional name

4-bromo-5-phenyl-2H-pyrazol-3-amine 4-bromo-5-phenyl-1H-pyrazol-3-amine

Synonyms

IUPAC name

4-bromo-3-phenyl-1H-pyrazol-5-amine 4-bromo-5-phenyl-1H-pyrazol-3-amine

CAS Number

2845-78-5

PubChem SID

162074139

Safety Information

Storage Warning

Irritant/Light Sensitive

MSDS Link

Download link

Safety Statements

26-37

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

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

GHS Precautionary statements

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

Risk Statements

36/37/38

Physical Property

Product Information

Purity

95%

96%

Certificate of Analysis

Download link

No Data Available

Click here to submit data

Molecule

ID:87023