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Q-4797 structure
Q-4797 structure

Q-4797

Iupac Name:nickel
CAS No.: 7440-02-0
Molecular Weight:58.693
Modify Date.: 2022-04-12 01:18
1. Names and Identifiers
1.1 Name
Q-4797
1.2 Synonyms

1-boc-azepan-4-carboxylic acid hydrazide AK185176 AKOS024116725 MOLPORT-029-070-701

1.3 CAS No.
7440-02-0
1.4 CID
935
1.5 Molecular Formula
C10H10ClN3 (isomer)
1.6 Inchi
InChI=1S/Ni
1.7 InChkey
PXHVJJICTQNCMI-UHFFFAOYSA-N
1.8 Canonical Smiles
[Ni]
1.9 Isomers Smiles
[Ni]
2. Properties
3.1 Melting point
1453℃
3.1 Vapour pressure
0 mm Hg (approx) (NIOSH, 2016)
3.1 Precise Quality
57.93530
3.1 PSA
0.00000
3.1 logP
0.00000
3. Safety and Handling
4.1 Symbol
GHS07, GHS08
4.1 Signal Word
Danger
4.1 Risk Statements
R17;R40;R43
4.1 Safety Statements
S24;S36/37;S45
4.1 Packing Group
II
4.1 Hazard Class
4.1
4.1 Hazard Declaration
H317-H351-H372-H412
4.1 RIDADR
UN 1378/2881
4.1 Caution Statement
P273-P280-P314-P333 + P313
4.1 WGK Germany
3
4.1 RTECS
VW4725000
4. 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

5. Computational chemical data
  • Molecular Weight: 58.693g/mol
  • Molecular Formula: C10H10ClN3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 57.935342
  • Monoisotopic Mass: 57.935342
  • Complexity: 0
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 0
  • 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: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcQAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
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8. Realated Product Infomation