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WATER, [3H] structure
WATER, [3H] structure

WATER, [3H]

CAS No.: 13670-17-2
Molecular Weight:22.031
Modify Date.: 2022-11-01 12:03
Introduction: Radioactive agent. View more+
1. Names and Identifiers
1.1 Name
WATER, [3H]
1.2 Synonyms

[3H]WATER forscintillationcounting Heavy water (HTO) Hydrogen tritium oxide Tritiated water Tritiated water (HTO) Tritiated water vapor (HTO) Tritium hydroxide Tritium oxide (HTO) Water (HTO) Water (TOH) WATER [3H], BIOLOGICAL GRADE H20 WATER [3H], FOR SCINTILLATION COUNTING water-(3H) 1 mci per G WATER-(3H) 25 MCI PER G Water, heavy (HTO) Water-3H water-3H (1 ci/G) WATER-3H (5 CI/G) Water-t Water-t1

1.3 CAS No.
13670-17-2
1.4 CID
104752
1.5 Molecular Formula
H2O (isomer)
1.6 Inchi
InChI=1S/H2O/h1H2/i/hT2
1.7 InChkey
XLYOFNOQVPJJNP-PWCQTSIFSA-N
1.8 Canonical Smiles
O
1.9 Isomers Smiles
[3H]O[3H]
2. Properties
2.1 Density
1.2138 g/cu cm at 25 °C
2.1 Melting point
4.48 °C
2.1 Boiling point
100°Cat760mmHg
2.1 Flash Point
°C
2.1 Precise Quality
18.01060
2.1 PSA
9.23000
2.1 logP
-0.06430
2.1 Heat of Vaporization
45.81 J/mol K at 25 °C
2.2 StorageTemp
2-8°C
3. Use and Manufacturing
3.1 Usage
Radioactive agent.
4. Safety and Handling
4.1 Hazard Codes
R
4.1 RIDADR
UN 2910 7
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

7. Precursor and Product
8. Computational chemical data
  • Molecular Weight: 22.031g/mol
  • Molecular Formula: H2O
  • Compound Is Canonicalized: True
  • XLogP3-AA: -0.5
  • Exact Mass: 22.027013182
  • Monoisotopic Mass: 22.027013182
  • Complexity: 0
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 1
  • Heavy Atom Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 2
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcQAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
9. Recommended Suppliers
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WATER, [3H]
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  • Time: 2019/11/25
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WATER, [3H]
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  • Time: 2019/11/25
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10. Realated Product Infomation