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Home> Hot Product Listed 2   > 21H,23H-Porphine,5,10,15,20-tetrakis(4-nitrophenyl)-
99627-05-1 structure

21H,23H-Porphine,5,10,15,20-tetrakis(4-nitrophenyl)-

Iupac Name:3,4,5-trifluorophenol
CAS No.:99627-05-1
Molecular Weight:148.084
Molecular Formula:C4H7NO2 (isomer)
Names and Identifiers
Synonyms

5,10,15,20-Tetrakis(4-nitrophenyl)porphyrin meso-Tetra(4-nitrophenyl)porphyrin meso-Tetrakis(4-nitrophenyl)porphine meso-Tetrakis(4-nitrophenyl)porphyrin Porphine,5,10,15,20-tetrakis(p-nitrophenyl)- (8CI) Tetra(p-nitrophenyl)porphyrin

Inchi
InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChkey
ZRTWIJKGTUGZJY-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1F)F)F)O
Properties
Melting Point
52-55℃
Boiling Point
274.4°Cat760mmHg
Refractive Index
1.471
Flash Point
181.1°C
Safety and Handling
Risk Statements
R22;R34;R51/53
Safety Statements
S26;S36/37/39;S45;S60
HazardClass
3
PackingGroup
III
Transport
UN 3261
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:148.084g/mol
  • Molecular Formula:C4H7NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:148.014
  • Monoisotopic Mass:148.014
  • Complexity:108
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:10
  • 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: AAADcQBgIYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAACAAACASAkAgwBoAAAgCA ACBCAAACAAAgIAAAiAAGCIgIJiKCERKAcAAkwBEImAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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