-
Name
4-ETHYNYLBENZALDEHYDE
- EINECS
- CAS No. 63697-96-1
- Article Data84
- CAS DataBase
- Density 1.07 g/cm3
- Solubility
- Melting Point 89-93 °C
- Formula C9H6O
- Boiling Point 223.8 °C at 760 mmHg
- Molecular Weight 130.146
- Flash Point 86.8 °C
- Transport Information
- Appearance
- Safety 22-26-36
- Risk Codes 36/37/38
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 4-Ethynylbenzaldehyde;4-Formylphenylacetylene;p-Ethynylbenzaldehyde;AC1MCK9N;SBB064928;ZINC02548316;CID2771645;
- PSA 17.07000
- LogP 1.48040
4-Ethynylbenzaldehyde Specification
The Benzaldehyde,4-ethynyl- with CAS registry number of 63697-96-1 is also known as p-Ethynylbenzaldehyde. The IUPAC name is 4-Ethynylbenzaldehyde. It belongs to product categories of Aldehyde; Aldehydes; C9; Carbonyl Compounds. In addition, the formula is C9H6O and the molecular weight is 130.14. This chemical should be stored in sealed containers in cool and dry place.
Physical properties about Benzaldehyde,4-ethynyl- are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.27; (5)ACD/BCF (pH 7.4): 14.27; (6)ACD/KOC (pH 5.5): 233.34; (7)ACD/KOC (pH 7.4): 233.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 38.78 cm3; (12)Molar Volume: 121 cm3; (13)Surface Tension: 43.2 dyne/cm; (14)Density: 1.07 g/cm3; (15)Flash Point: 86.8 °C; (16)Enthalpy of Vaporization: 46.02 kJ/mol; (17)Boiling Point: 223.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0946 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. Do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C#CC1=CC=C(C=C1)C=O
2. InChI: InChI=1S/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H
3. InChIKey: BGMHQBQFJYJLBP-UHFFFAOYSA-N
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