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PROPENE-2-13C structure

PROPENE-2-13C

 
1. Names and Identifiers
1.1 Name
PROPENE-2-13C
1.2 Synonyms
MFCD01073831; PROPENE-2-13C; Propene-2-13C (gas); propylene-2-13c;
1.3 CAS No.
37020-81-8
1.4 CID
15621143
1.5 Molecular Formula
C3H6
1.6 Inchi
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i3+1
1.7 InChkey
QQONPFPTGQHPMA-LBPDFUHNSA-N
1.8 Canonical Smiles
CC=C
1.9 Isomers Smiles
C[13CH]=C
2. Properties
2.1 Vapour pressure
1.48 (vs air)
2.2 VaporDensity
1.48 (vs air)
3. Safety and Handling
3.1 Safety
Hazard Codes FRisk Statements 11Safety Statements 16-33-38RIDADR UN 1077 2.1 WGK Germany 3
4. 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

5. Synthesis Route
37020-81-8Total: 1 Synthesis Route
 
 
 
89490-92-6
89490-92-6 4 Suppliers
 
 
 
37020-81-8
37020-81-8 5 Suppliers
6. Precursor and Product
precursor:
7. Computed Properties
  • Molecular Weight:43.09g/mol
  • Molecular Formula:C3H6
  • Compound Is Canonicalized:True
  • Exact Mass:1.4
  • XLogP3-AA:43.050305027
  • Monoisotopic Mass:43.050305027
  • 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:1
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAAAAAIAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Toltal 3 Suppliers View more
Tel: Update Time:2019/11/25
Tel: Update Time:2022/01/01
Tel: Update Time:2022/01/01
9. Realated Product Infomation
 
 
 
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