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Home> Encyclopedia >   /  Other Inorganic Salts  /  Organic Intermediate  /  Other Inorganic Chemicals  /  Organic Intermediates  /  Syntheses Material Intermediates
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen, compd. with 2,2'-(dodecylimino)bis[ethanol] (1:1) structure
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen, compd. with 2,2'-(dodecylimino)bis[ethanol] (1:1) structure

Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen, compd. with 2,2'-(dodecylimino)bis[ethanol] (1:1)

Iupac Name:disodium;dioxido(oxo)silane;nonahydrate
CAS No.:13517-24-3
Molecular Weight:284.197
1. Names and Identifiers
1.1 Name
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen, compd. with 2,2'-(dodecylimino)bis[ethanol] (1:1)
1.2 Synonyms

84195-83-5 Chromate(1-), (2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogen, compd. with 2,2'-(dodecylimino)bis(ethanol) (1:1) Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen, compd. with 2,2'-(dodecylimino)bis[etha Einecs 282-390-4

1.3 CAS No.
13517-24-3
1.4 CID
61639
1.5 Molecular Formula
C80H132CRN13O20S2+ (isomer)
1.6 Inchi
InChI=1S/2Na.O3Si.9H2O/c;;1-4(2)3;;;;;;;;;/h;;;9*1H2/q2*+1;-2;;;;;;;;;
1.7 InChkey
PHIQPXBZDGYJOG-UHFFFAOYSA-N
1.8 Canonical Smiles
O.O.O.O.O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]
1.9 Isomers Smiles
O.O.O.O.O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]
2. 3D Conformer
3. Properties
3.1 Melting Point
72.2℃ [OXY93]
4. Safety and Handling
4.1 Risk Statements
R34;R37
4.2 Safety Statements
S13;S36/37/39;S45
4.3 HazardClass
8
4.3 Hazard Note
H314; H335
4.4 PackingGroup
III
4.5 Transport
UN 3253
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

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

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

Response

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

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

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

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

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:284.197g/mol
  • Molecular Formula:C80H132CRN13O20S2+
  • Compound Is Canonicalized:True
  • Exact Mass:284.036
  • Monoisotopic Mass:284.036
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:9
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:72.2A^2
  • Heavy Atom Count:15
  • 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:12
  • CACTVS Substructure Key Fingerprint: AAADceAAPDgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACEAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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