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Home> Encyclopedia >   /  Sulphate  /  Pharmaceutical Intermediates  /  Water Treatment Chemicals  /  Organic Intermediate  /  Others
L-threo-L-ido-Nononic acid, 2,4,7,8,9-pentadeoxy-2,4,8-trimethyl-6-C-methyl-9-[methyl(1,2,6,7-tetradeoxy-4-C-methyl-D-manno-heptitol-2-yl)amino]-5-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]- structure
L-threo-L-ido-Nononic acid, 2,4,7,8,9-pentadeoxy-2,4,8-trimethyl-6-C-methyl-9-[methyl(1,2,6,7-tetradeoxy-4-C-methyl-D-manno-heptitol-2-yl)amino]-5-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]- structure

L-threo-L-ido-Nononic acid, 2,4,7,8,9-pentadeoxy-2,4,8-trimethyl-6-C-methyl-9-[methyl(1,2,6,7-tetradeoxy-4-C-methyl-D-manno-heptitol-2-yl)amino]-5-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]-

Iupac Name:iron(3+);trisulfate
CAS No.:10028-22-5
Molecular Weight:153.92348
1. Names and Identifiers
1.1 Name
L-threo-L-ido-Nononic acid, 2,4,7,8,9-pentadeoxy-2,4,8-trimethyl-6-C-methyl-9-[methyl(1,2,6,7-tetradeoxy-4-C-methyl-D-manno-heptitol-2-yl)amino]-5-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]-
1.2 CAS No.
10028-22-5
1.3 CID
24826
1.4 Molecular Formula
C8H6ClNO5S2 (isomer)
1.5 Inchi
InChI=1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
1.6 InChkey
RUTXIHLAWFEWGM-UHFFFAOYSA-H
1.7 Canonical Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3]
1.8 Isomers Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3]
2. Properties
3.1 Melting point
480°C
3.1 Refractive index
Index of refraction: 1.814
3.1 Precise Quality
399.72500
3.1 PSA
265.92000
3.1 logP
-0.77660
3. Safety and Handling
4.1 Risk Statements
R22;R36/37
4.1 Safety Statements
S26
4.1 RIDADR
UN 9121
4.1 WGK Germany
3
4.1 RTECS
NO8520000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

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.

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

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

Response

P390 Absorb spillage to prevent material damage.

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/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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

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

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:153.92348g/mol
  • Molecular Formula:C8H6ClNO5S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:399.725060
  • Monoisotopic Mass:399.725060
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:266
  • Heavy Atom Count:17
  • 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:5
6. Question & Answer
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