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Home> Encyclopedia >   /  Water Treatment Chemicals  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Amine
F3398-4049 structure
F3398-4049 structure

F3398-4049

CAS No.:8001-54-5
Molecular Weight:339.98612
1. Names and Identifiers
1.1 Name
F3398-4049
1.2 Synonyms

AKOS021876897 HMS3538G17 MCULE-5774551878 MOLPORT-009-708-713 n-benzyl-4-methyl-2-(5-methyl-1-phenyl-1h-1,2,3-triazol-4-yl)thiazole-5-carboxamide VU0620052-1 ZINC35512106

1.3 CAS No.
8001-54-5
1.4 Molecular Formula
C11H20N4O (isomer)
1.5 Inchi
InChI=1/C22H40N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-23(2,3)22-19-16-15-17-20-22;;/h15-17,19-20H,4-14,18,21H2,1-3H3;1H;1H2/q+1;;/p-1
1.7 Canonical Smiles
[Cl-].[*][N+](C)(C)CC1=CC=CC=C1
2. Properties
2.1 Precise Quality
353.284943
2.1 PSA
0.00000
2.1 logP
7.76610
3. Safety and Handling
3.1 Risk Statements
R21/22;R34;R50
3.1 Safety Statements
S36/37/39;S45;S61
3.1 RIDADR
UN 2923
3.1 WGK Germany
3
3.1 RTECS
BO3151000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H314 Causes severe skin burns and eye damage

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:339.98612g/mol
  • Molecular Formula:C11H20N4O
  • Exact Mass:339.269278
  • Monoisotopic Mass:339.269278
  • Complexity:240
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0
  • Heavy Atom Count:23
  • 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:2
6. Question & Answer
  • This is benzalkonium chloride NaCl This is sodium chloride So obviously, benzalkonium chloride and sodium chloride are not the same.
  • No, because benzalkonium chloride contains nitrogen. In principle, there are two things that you do not want to mix with bleach: Anything acidic. Anything containing nitrogen. Bleach is a basic solution. Mixing it with an acid turns the sodium hypochlorite into hypochlorous acid, which immediately ...
  • Yes! Yes! Yes! Benzalkonium chloride causes antibiotics resistance. There are several research has been done and the findings indicate that it causes antibiotics resistance: Here I am mentioning some references: “Benzalkonium chloride is a QAC, with broad-spectrum antimicrobial activity. Its vast ...
  • I wonder if and how long (approximately) it will take for benzalkonium chloride (shown above; n = 8 , 10 , 12 , 14 , 16 , 18 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" n = 8 , 10 , 12 , 14 , 16 , 18 n = 8 , 10 , 12 , 14 , 16 , 18 ) to breakdown (degrade ...
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