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N-(3,4-dichlorophenyl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide structure
N-(3,4-dichlorophenyl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide structure

N-(3,4-dichlorophenyl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide

Iupac Name:bis(2,4-dihydroxyphenyl)methanone
CAS No.: 131-55-5
Molecular Weight:246.2155
Modify Date.: 2022-04-11 07:17
1. Names and Identifiers
1.1 Name
N-(3,4-dichlorophenyl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
1.2 Synonyms

1H-Pyrazole-1-aceta N-(3,4-Dichlorophen N-(3,4-Dichlorophén N-(3,4-Dichloro-phenyl)-2-(3-difluoromethyl-5-methyl-pyrazol-1-yl)-acetamide N-(3,4-dichlorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide N-(3,4-Dichlorpheny QWOZTJVNHUWYTB-UHFFFAOYSA-N

1.3 CAS No.
131-55-5
1.4 CID
8571
1.5 Molecular Formula
C19H16ClF3N6OS (isomer)
1.6 Inchi
InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
1.7 InChkey
WXNRYSGJLQFHBR-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
1.9 Isomers Smiles
C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
2. Properties
3.1 Density
1.4±0.1 g/cm3 (Predicted)
3.1 Melting point
199-204℃
3.1 Refractive index
1.718
3.1 Vapour pressure
6.69E-12mmHg at 25°C
3.1 Precise Quality
246.05300
3.1 PSA
97.99000
3.1 logP
1.74000
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R22;R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 Packing Group
II; III
4.1 Hazard Class
4.1
4.1 Hazard Declaration
H302-H315-H319-H335
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P261-P305 + P351 + P338
4.1 WGK Germany
3
4.1 RTECS
DJ1892000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

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/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 246.2155g/mol
  • Molecular Formula: C19H16ClF3N6OS
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.4
  • Exact Mass: 246.05282342
  • Monoisotopic Mass: 246.05282342
  • Complexity: 278
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 98
  • Heavy Atom Count: 18
  • 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: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASAmAAwBoAAAgCIAqBSAAACAAAkIAAIiAEGCMgIJzaCFRKAcUAl4BUImYeI7OTOIAAACAAIAABAAAAQABAAAAAAAAAAAA==
6. Question & Answer
  • Application of BZP-2 2,2',4,4'-Tetrahydroxybenzophenone (BZP-2) is water-soluble and light-yellow powder (figure 1). BZP-2 is widely used in perfumes to prevent their degradation due to light. BZP-2 is a UV-absorber that helps protect against product degradation because of UV-light exposure...
8. Realated Product Infomation