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PROPENE-D6 structure

PROPENE-D6

 
1. Names and Identifiers
1.1 Name
PROPENE-D6
1.2 Synonyms
1,1,2,3,3,3-hexadeuterioprop-1-ene; 1-Propene-1,1,2,3,3,3-d6; CD3CD=CD2; PROPENE-D6; Propene-D6 (gas); PROPYLENE (D6);
1.3 CAS No.
1517-52-8
1.4 CID
137051
1.5 Molecular Formula
C3H6
1.6 Inchi
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i1D2,2D3,3D
1.7 InChkey
QQONPFPTGQHPMA-QNYGJALNSA-N
1.8 Canonical Smiles
CC=C
1.9 Isomers Smiles
[2H]C(=C([2H])C([2H])([2H])[2H])[2H]
2. Safety and Handling
2.1 Safety
Hazard Codes FRisk Statements 11Safety Statements 16-33-38RIDADR UN 1077 2.1 WGK Germany 3
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable gases, Category 1

Gases under pressure: Compressed gas

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H220 Extremely flammable gas

H280 Contains gas under pressure; may explode if heated

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

Response

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

Storage

P403 Store in a well-ventilated place.

Disposal

none

2.3 Other hazards which do not result in classification

none

4. Synthesis Route
1517-52-8Total: 3 Synthesis Route
 
6111-63-3
6111-63-3 2 Suppliers
 
1517-52-8
1517-52-8 6 Suppliers
 
22739-76-0
22739-76-0 13 Suppliers
 
1517-52-8
1517-52-8 6 Suppliers
5. Precursor and Product
6. Computed Properties
  • Molecular Weight:48.118g/mol
  • Molecular Formula:C3H6
  • Compound Is Canonicalized:True
  • Exact Mass:1.4
  • XLogP3-AA:48.0846106671
  • Monoisotopic Mass:48.0846106671
  • Complexity:7.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count::3
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:6
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAAAAAIAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 6 Suppliers View more
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
Tel: Update Time:2022/01/01
8. Realated Product Infomation
 
 
 
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