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Benzoicacid, 2-hydroxy-5-(2-propynyloxy)-, 1,3-propanediyl ester (9CI) structure
Benzoicacid, 2-hydroxy-5-(2-propynyloxy)-, 1,3-propanediyl ester (9CI) structure

Benzoicacid, 2-hydroxy-5-(2-propynyloxy)-, 1,3-propanediyl ester (9CI)

Iupac Name:oxo(oxochromiooxy)chromium
CAS No.:1308-38-9
Molecular Weight:99.9943
1. Names and Identifiers
1.1 Name
Benzoicacid, 2-hydroxy-5-(2-propynyloxy)-, 1,3-propanediyl ester (9CI)
1.2 Synonyms

3-(2-hydroxy-5-prop-2-ynoxybenzoyl)oxypropyl 2-hydroxy-5-pro 3-(2-hydroxy-5-prop-2-ynoxybenzoyl)oxypropyl 2-hydroxy-5-prop-2-ynoxybenzoate 3-[2-hydroxy-5-(prop-2-yn-1-yloxy)benzoyloxy]propyl 2-hydroxy-5-(prop-2-yn-1-yloxy)benzoate 84198-42-5 AC1L7RMH DTXSID50321095 nsc370162 ZINC1587287

1.3 CAS No.
1308-38-9
1.4 CID
517277
1.5 Molecular Formula
C15H14N2S (isomer)
1.6 Inchi
InChI=1/2Cr.3O
1.7 InChkey
QDOXWKRWXJOMAK-UHFFFAOYSA-N
1.8 Canonical Smiles
O=[Cr]O[Cr]=O
1.9 Isomers Smiles
O=[Cr]O[Cr]=O
2. 3D Conformer
3. Properties
3.1 Density
1.29
3.2 Melting Point
2435℃
3.3 Boiling Point
569.2°Cat760mmHg
3.4 Refractive Index
2.551
3.5 Flash Point
258°C
4. Safety and Handling
4.1 Safety Statements
S24/25
5. 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

6. Computational chemical data
  • Molecular Weight:99.9943g/mol
  • Molecular Formula:C15H14N2S
  • Exact Mass:99.925256
  • Monoisotopic Mass:99.925256
  • Complexity:61.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.2
  • Heavy Atom Count:4
  • 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
8. Question & Answer
  • What product is formed when Cro3 oxidizes propanol? You’ll have to be more specific. There are two different isomers of “propanol” and — no surprise — they give different products upon oxidation with chromium trioxide. Primary alcohols like 1-propanol are oxidized all the way to the carboxylic...
  • I'm trying to figure out which form of chromium oxide forms naturally in our atmosphere, i.e., if you take a piece of elemental C r C r from vacuum to a normal, room temperature environment with air, does it form C r O C r O on the surface? Or C r X 2 O X 3 C r X 2 O X 3 ? Etc. This site says: Chro...
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