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Home> Hot Product Listed P   > Phosphinecarboxylicacid, 1-(hexadecyloxy)-1-hydroxy-, 1-oxide
117976-90-6 structure

Phosphinecarboxylicacid, 1-(hexadecyloxy)-1-hydroxy-, 1-oxide

Iupac Name:sodium
2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]
benzimidazol-1-ide
CAS No.:117976-90-6
Molecular Weight:381.42447
Molecular Formula:(C2H4O)N(C2H4O)N(C2H4O)NC3H8O3 (isomer)
Names and Identifiers
Synonyms

[hexadecoxy(hydroxy)phosphoryl]formic acid [hexadecyloxy(hydroxy)phosphoryl]formic acid AC1L9Q81 LP071363 palmityl foscarnet palmityl phosphonoformate phosphinecarboxylic acid, (hexadecyloxy)hydroxy-, oxide, disodium salt Phosphinecarboxylicacid, (hexadecyloxy)hydroxy-, oxide (9CI) SCHEMBL8022735

Inchi
InChI=1/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
Canonical Smiles
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
Properties
Density
2.142
Melting Point
140-141℃ dec.
Flash Point
199.3°C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:381.42447g/mol
  • Molecular Formula:(C2H4O)N(C2H4O)N(C2H4O)NC3H8O3
  • Exact Mass:381.112307
  • Monoisotopic Mass:381.112307
  • Complexity:446
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:81.5
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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Recommended Suppliers
  • Tel:0086-27-59207850
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  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87670983
  • Fax:86-571-86821328
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-83214668
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