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Home> Hot Product Listed F   > F2539-1119
1634-78-2 structure

F2539-1119

Iupac Name:diethyl 2-dimethoxyphosphorylsulfanylbutanedioate
CAS No.:1634-78-2
Molecular Weight:314.292421
Molecular Formula:C23H27N5O3 (isomer)
Names and Identifiers
Synonyms

(2z)-n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethoxyphenyl)acrylamide (z)-n-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxopyrrolidin-3-yl)-3-(3,4-dimethoxyphenyl)acrylamide AKOS005008801 MOLPORT-003-132-385

Inchi
InChI=1/C10H19O6PS2.C8H14O4S/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4;1-3-11-7(9)5-6(13)8(10)12-4-2/h8H,5-7H2,1-4H3;6,13H,3-5H2,1-2H3
InChkey
WSORODGWGUUOBO-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
Safety and Handling
Risk Statements
11-38-50/53-65-67-24/25
Safety Statements
Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and POx.
HazardClass
6.1(b)
PackingGroup
III
Transport
3018
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1634-78-2 EC: F2539-1119 ·ECHA C&L Inventory for CAS: CAS: 1634-78-2 EC: F2539-1119
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H310 Fatal in contact with skin

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P262 Do not get in eyes, on skin, or on clothing.

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

Response

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

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/\u2026

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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:314.292421g/mol
  • Molecular Formula:C23H27N5O3
  • XLogP3-AA:0.6
  • Exact Mass:314.05891
  • Monoisotopic Mass:314.05891
  • Complexity:339
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:113
  • Heavy Atom Count:19
  • 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:1
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