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Basic information
- CAS
95697-53-3- Standard SMILES
CCN1C(=CC=C2C(=O)C=Cc3ccccc32)Sc2ccccc21- InChIKey
JZFXWYPVXGMIKL-UHFFFAOYSA-N- Molecular formula
- C21H17NOS
- Average molar mass
- 331.44 g/mol
- Monoisotopic mass
- 331.10308516
Names & identifiers
- Preferred name
- 1-[2-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]naphthalen-2(1H)-one
- IUPAC
- 1-[2-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]naphthalen-2(1H)-one
- English name
- 1-((3-Ethyl-2(3H)-benzothiazolylidene)-&
- Molecular formula
- C21H17NOS
- Molecular weight
- 331.43
Names & synonyms
1-((3-Ethyl-2(3H)-benzothiazolylidene)-&3-ethyl-2-[2-(2-hydroxy-naphthalen-1-yl)-vinyl]-benzothiazolium betaine2(1H)-Naphthalenone, 1-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-
Database identifiers
- CAS
95697-53-3- PubChem CID
- 3255752
- DTXSID
DTXSID00390711
Properties
Physicochemical properties
- Melting point
- 181 · 181-186 °C(lit.)
- Boiling point
- 514.6 · 514.6±50.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- -0.91 · -0.91±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
天津希恩思生化科技有限公司400 638 7771 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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