4-Dibenzo(A,D)cyclohepten-5-ylidene-butyric acid
Basic information
- CAS
34035-32-0- Standard SMILES
O=C(O)CCC=C1c2ccccc2C=Cc2ccccc21- InChIKey
CXTKNVKPFXCRCG-UHFFFAOYSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- 4-Dibenzo(A,D)cyclohepten-5-ylidene-butyric acid
- IUPAC
- 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)butanoic acid
- English name
- 4-Dibenzo(a,d)cyclohepten-5-ylidene-butyric acid
- Molecular formula
- C19H16O2
- Molecular weight
- 276.33
Names & synonyms
4-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE-BUTYRIC ACIDRefChem:52250134035-32-0683-802-9SCHEMBL7826223AKOS024331705Butanoic acid, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-
Database identifiers
- CAS
34035-32-0- PubChem CID
- 3328477
- EC Number
- 683-802-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 485.6 · 485.6±24.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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