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Home> Hot Product Listed F   > F5652-2339
1517-22-2 structure

F5652-2339

Iupac Name:1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene
CAS No.:1517-22-2
Molecular Weight:188.290818
Molecular Formula:C17H20N2O4S (isomer)
Names and Identifiers
Synonyms

6-(4-methoxyphenyl)-2-(1-oxo-1-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-2-yl)pyridazin-3(2h)-one AKOS024516531 MCULE-1432339155 MOLPORT-009-740-276 VU0649689-1

Inchi
InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChkey
YNPNZTXNASCQKK-LHNTUAQVSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC3=CC=CC=C32
Isomers Smiles
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C(=C(C(=C32)[2H])[2H])[2H])[2H])[2H])
[2H])[2H])[2H]
Properties
Melting Point
98-100 °C(lit.)
Vapour
0.000206mmHg at 25°C
Refractive Index
1.714
HS Code
28459000
Safety and Handling
Risk Statements
R22
Safety Statements
26-60-61-36/37-24/25-23-53-45
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 3077 9
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1517-22-2 EC: F5652-2339 ·ECHA C&L Inventory for CAS: CAS: 1517-22-2 EC: F5652-2339
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

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.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:188.290818g/mol
  • Molecular Formula:C17H20N2O4S
  • XLogP3-AA:4.5
  • Exact Mass:188.141018
  • Monoisotopic Mass:188.141018
  • Complexity:174
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:10
  • Covalently-Bonded Unit Count:1
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