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Home> Hot Product Listed P   > PS 128 (siloxane)
2580-56-5 structure

PS 128 (siloxane)

Iupac Name:[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium;chloride
CAS No.:2580-56-5
Molecular Weight:506.08000
Molecular Formula:C3H5CLO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H
InChkey
LLWJPGAKXJBKKA-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.[Cl-]
Properties
Density
1.35
Melting Point
206°C (dec.)(lit.)
Boiling Point
458.2°C at 760 mmHg
Flash Point
15℃
HS Code
2921499090
Safety and Handling
Risk Statements
R22; R36
Safety Statements
S26
Transport
HAZARD
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
REACH&Colours Kft 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:506.08000g/mol
  • Molecular Formula:C3H5CLO2
  • Compound Is Canonicalized:True
  • Exact Mass:505.228
  • Monoisotopic Mass:505.228
  • Complexity:769
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:20.4A^2
  • Heavy Atom Count:37
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcfB/AAAEAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAHAAQAAAADAiBGAQywIPAAACg AyRiRACCAAAhAgAIiAA4ZJgIIKLAkZGEIAhgkABIyAcQgMAOiAAAAAAQAAAQAAAAACAAAAAAAAAA AA==
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