Benzonitrile,4-(2,2-dihydroxyacetyl)- supplier

Name
4-CYANOPHENYLGLYOXAL HYDRATE
EINECS 604-604-1
CAS No. 19010-28-7
Article Data3
CAS DataBase
Density
Solubility
Melting Point
Formula C₉H₇NO₃
Boiling Point 395.3 °C at 760 mmHg
Molecular Weight 177.159
Flash Point 192.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzonitrile,4-(dihydroxyacetyl)- (9CI);
PSA 67.16000
LogP 0.87558

Benzonitrile,4-(2,2-dihydroxyacetyl)- Specification

The Benzonitrile,4-(2,2-dihydroxyacetyl)-, with the CAS registry number 19010-28-7, is also known as 4-Cyanophenylglyoxal hydrate 95%. This chemical's molecular formula is C₉H₇NO₃ and molecular weight is 177.1568. Its systematic name is called 4-(oxoacetyl)benzonitrile hydrate.

Physical properties of Benzonitrile,4-(2,2-dihydroxyacetyl)-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 9; (4)ACD/KOC (pH 7.4): 9; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Flash Point: 192.9 °C; (9)Enthalpy of Vaporization: 68.07 kJ/mol; (10)Boiling Point: 395.3 °C at 760 mmHg; (11)Vapour Pressure: 5.86E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O.N#Cc1ccc(cc1)C(=O)C=O
(2)InChI: InChI=1/C9H5NO2.H2O/c10-5-7-1-3-8(4-2-7)9(12)6-11;/h1-4,6H;1H2
(3)InChIKey: CANFXXFMTHAMFS-UHFFFAOYAH

Product Name

4-CYANOPHENYLGLYOXAL HYDRATE

Benzonitrile,4-(2,2-dihydroxyacetyl)- Specification

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