Basic information
- CAS
374707-71-8- Standard SMILES
CC(C)=CCOc1cc2oc(=O)c3c(c2cc1Cl)CCCC3- InChIKey
UXKQESFXXWWMDU-UHFFFAOYSA-N- Molecular formula
- C18H19ClO3
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1022722
Names & identifiers
- Preferred name
- 2-chloro-3-[(3-methyl-2-butenyl)oxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
- IUPAC
- 2-chloro-3-(3-methylbut-2-enoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- English name
- 2-chloro-3-(3-methylbut-2-enoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- Molecular formula
- C18H19ClO3
- Molecular weight
- 318.79
Names & synonyms
374707-71-82-chloro-3-[(3-methyl-2-butenyl)oxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one2-chloro-3-((3-methylbut-2-en-1-yl)oxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one2-chloro-3-[(3-methylbut-2-en-1-yl)oxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-oneOprea1_235996Oprea1_641878SCHEMBL4709622STL459993AKOS0023837822-chloro-3-[(3-methylbut-2-en-1-yl)oxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one2-chloro-3-(3-methylbut-2-enoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one2-CL-3-((3-METHYL-2-BUTENYL)OXY)-7,8,9,10-TETRAHYDRO-6H-BENZO(C)CHROMEN-6-ONE
Show more names
6H-Dibenzo[b,d]pyran-6-one, 2-chloro-7,8,9,10-tetrahydro-3-[(3-methyl-2-buten-1-yl)oxy]-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 490.9 · 490.9±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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