5-Bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole structure

3D Mol Similar

5-Bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole

Iupac Name：4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid

CAS No.：659-40-5

Molecular Weight：606.706

Request For Quotation

1. Names and Identifiers

1.1 Name: 5-Bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole

2. Properties

3.1 Melting point: 246-247° (dec)

3.1 Boiling point: 696.8±55.0 °C(Predicted)

3.1 Precise Quality: 606.20300

3.1 PSA: 284.16000

3.1 logP: 4.76760

3. Safety and Handling

4.1 Packing Group: III

4.1 Hazard Class: 6.1(b)

4.1 RIDADR: 2811

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：606.706g/mol
Molecular Formula：C_₁₁H_₁₅NO_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：606.20293577
Monoisotopic Mass：606.20293577
Complexity：505
Rotatable Bond Count：15
Hydrogen Bond Donor Count：8
Hydrogen Bond Acceptor Count：12
Topological Polar Surface Area：284
Heavy Atom Count：40
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：3

6. Question & Answer

Hexamidine diisethionate-application, Health Hazard and Toxicity Jan 29 2021
Hexamidine diisethionate (chemical name: 2-hydroxyethanesulfonic acid-4, 4’-[1, 6-hexanediylbis(oxy)] dibenzenecarboximidamide, CAS No . 659-40-5) is a very mild and safe antimicrobial agent with good tolerability and low risk of skin irritation. Hexamidine Diisethionate functions as a biocid...

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