Cas no 24722-90-5 (Pyrene,1-isothiocyanato-)
Pyrene,1-isothiocyanato- structure
Product Name:Pyrene,1-isothiocyanato-
CAS No:24722-90-5
MF:C17H9NS
MW:259.325062513351
CID:239582
PubChem ID:2762673
Update Time:2025-04-19
Pyrene,1-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Pyrene,1-isothiocyanato-
- 1-isothiocyanatopyrene
- 1-Pyrene ITC
- 1-PYRENEISOTHIOCYANATE
- 3-Pyrenyl-isothiocyanat
- pyrene isothiocyanate
- Pyrene,1-isothiocyanato
- 1-pyrene isothiocyanate
- FT-0608293
- SCHEMBL5935478
- Pyrene, 1-isothiocyanato-
- 24722-90-5
- 1-Pyrene ITC [1-Pyreneisothiocyanate]
- DTXSID70376360
-
- Inchi： 1S/C17H9NS/c19-10-18-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)17(13)16(11)12/h1-9H
- InChI Key： LHEHDIOVQOOWSX-UHFFFAOYSA-N
- SMILES： S=C=NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C43
Computed Properties
- Exact Mass: 259.04600
- Monoisotopic Mass: 259.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 400
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Density: 1.26
- Boiling Point: 470.4°C at 760 mmHg
- Flash Point: 258.8°C
- Refractive Index: 1.718
- PSA: 44.45000
- LogP: 5.31830
Pyrene,1-isothiocyanato- Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Pyrene,1-isothiocyanato- Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Pyrene,1-isothiocyanato- Related Literature
-
Julio Rodríguez-Lavado,Alejandro Lorente,Erick Flores,Andrés Ochoa,Fernando Godoy,Pablo Jaque,Claudio Saitz RSC Adv. 2020 10 21963
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