Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Ethynylbenzoic acid

Related Products

Hot Products

Name

4-Ethynylbenzoic acid

EINECS N/A
CAS No. 10602-00-3 Density 1.23 g/cm3
PSA 37.30000 LogP 1.36610
Solubility N/A Melting Point 200°C
Formula C9H6O2 Boiling Point 277.2 °C at 760 mmHg
Molecular Weight 146.145 Flash Point 126.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10602-00-3 (4-ETHYNYL-BENZOIC ACID) Hazard Symbols Xn
Synonyms

Benzoicacid, p-ethynyl- (7CI,8CI);4-Carboxyphenylacetylene;4-Ethynylbenzoic acid;p-Ethynylbenzoic acid;

Article Data 44

4-Ethynylbenzoic acid Specification

The Benzoic acid,4-ethynyl-, with the CAS registry number 10602-00-3, is also known as 4-Ethynyl-benzoic acid. This chemical's molecular formula is C9H6O2 and molecular weight is 146.14. What's more, its systematic name is 4-Ethynylbenzoic acid.

Physical properties of Benzoic acid,4-ethynyl- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 40.08 cm3; (15)Molar Volume: 118.5 cm3; (16)Polarizability: 15.89×10-24 cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 126.4 °C; (20)Enthalpy of Vaporization: 54.48 kJ/mol; (21)Boiling Point: 277.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(C#C)cc1
(2)InChI: InChI=1/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
(3)InChIKey: SJXHLZCPDZPBPW-UHFFFAOYAS

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 10602-00-3