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Home> Hot Product Listed 1   > 1,3,2-Dioxaphosphorinane,5,5-dimethyl-, 2-oxide
1120-71-4 structure

1,3,2-Dioxaphosphorinane,5,5-dimethyl-, 2-oxide

Iupac Name:oxathiolane 2,2-dioxide
CAS No.:1120-71-4
Molecular Weight:122.138
Molecular Formula:C26H32CL2N4O (isomer)
Names and Identifiers
Synonyms

1,3-Propanediol,2,2-dimethyl-, cyclic phosphonate (6CI,7CI,8CI) 2,2-Dimethyl-1,3-propanediol cyclicphosphite 2,2-Dimethylpropane-1,3-diol cyclic phosphonate 2,2-Dimethyltrimethylene phosphonate 5,5-Dimethyl-1,3,2-dioxaphosphorinane2-oxide 5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphorinane Cyclic 2,2-dimethyltrimethylenephosphonate Neopentylene phosphite Neopentylglycol hydrogen phosphite Phosphonic acid, cyclic2,2-dimethyltrimethylene ester (8CI)

Inchi
InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2
InChkey
FSSPGSAQUIYDCN-UHFFFAOYSA-N
Canonical Smiles
C1COS(=O)(=O)C1
Isomers Smiles
C1COS(=O)(=O)C1
Properties
Density
0.9
Melting Point
30-33℃
Boiling Point
709.3°C at 760 mmHg
Vapour
0.00237mmHg at 25°C
Refractive Index
1.4585 (20℃)
HS Code
29349990
Safety and Handling
Risk Statements
R45;R21/22
Safety Statements
S53;S45
HazardClass
6.1
Safety
Hazard Codes CRisk Statements 34Safety Statements 26-36/37/39-45RIDADR UN 1759 8/PG 3 WGK Germany 3
PackingGroup
III
Transport
UN 2810
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H350 May cause cancer

Precautionary statement(s)
Prevention

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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/...

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

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

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:122.138g/mol
  • Molecular Formula:C26H32CL2N4O
  • Compound Is Canonicalized:True
  • Exact Mass:122.004
  • Monoisotopic Mass:122.004
  • Complexity:140
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.8A^2
  • Heavy Atom Count:7
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBAMABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgQAAAAACACkwAKAAAAAAAIA AAAAAHBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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