CAS No.555-59-9,N-PHENYLMALEAMIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	555-59-9
Name:	N-PHENYLMALEAMIC ACID
Article Data:	79

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
Synonyms:	2-Butenoicacid, 4-oxo-4-(phenylamino)-, (Z)-;Maleanilic acid (6CI,7CI,8CI);(2Z)-4-Oxo-4-(phenylamino)-2-butenoic acid;Maleanilinic acid;Maleic acidmonoanilide;Maleic acid monophenyl amide;N-Phenylmaleamic acid;N-Phenylmaleinamic acid;
EINECS:	209-102-1
Density:	1.329g/cm³
Melting Point:	188-190°C
Boiling Point:	442.1 °C at 760 mmHg
Flash Point:	221.1 °C
Risk Codes:	36/37/38
Safety:	26
PSA:	66.40000
LogP:	1.33890

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Specification

The 2-Butenoic acid,4-oxo-4-(phenylamino)-, (2Z)-, with CAS registry number 555-59-9, has the systematic name of (2Z)-4-oxo-4-(phenylamino)but-2-enoic acid. Besides this, it is also called N-Phenylmaleamic acid. And the chemical formula of this chemical is C₁₀H₉NO₃. What's more, its EINECS is 209-102-1.

Physical properties of 2-Butenoic acid,4-oxo-4-(phenylamino)-, (2Z)-: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -2.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 51.41 cm³; (15)Molar Volume: 143.7 cm³; (16)Polarizability: 20.38×10^-24cm³; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.329 g/cm³; (19)Flash Point: 221.1 °C; (20)Enthalpy of Vaporization: 73.72 kJ/mol; (21)Boiling Point: 442.1 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Butenoic acid,4-oxo-4-(phenylamino)-, (2Z)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)/C=C\C(=O)O
(2)InChI: InChI=1/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
(3)InChIKey: WHZLCOICKHIPRL-SREVYHEPBN
(4)Std. InChI: InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
(5)Std. InChIKey: WHZLCOICKHIPRL-SREVYHEPSA-N