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2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo-

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Name

2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo-

EINECS N/A
CAS No. 36847-86-6 Density 1.688 g/cm3
PSA 66.40000 LogP 2.10140
Solubility N/A Melting Point N/A
Formula C10H8BrNO3 Boiling Point 482 °C at 760 mmHg
Molecular Weight 270.082 Flash Point 245.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 36847-86-6 (N-(4-BROMOPHENYL)MALEAMIC ACID) Hazard Symbols N/A
Synonyms

ASISCHEM Z51187;N-(4-BROMOPHENYL)MALEAMIC ACID;4-(4-Bromoanilino)-4-oxobut-2-enoic acid;N-(4-Bromophenyl)maleamicacid,97%;4-(Bromophenyl)maleamic acid;4-BROMOMALEANILIC ACID

Article Data 7

2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo- Specification

The 2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo- is an organic compound with the formula C10H8BrNO3. The IUPAC name of this chemical is (2Z)-4-(4-bromoanilino)-4-oxobut-2-enoate. With the CAS registry number 36847-86-6, it is also named as 3-(4-Bromo-phenylcarbamoyl)-acrylic acid. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo- are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 59.1 cm3; (14)Molar Volume: 159.9 cm3; (15)Polarizability: 23.43×10-24cm3; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.688 g/cm3; (18)Flash Point: 245.3 °C; (19)Enthalpy of Vaporization: 78.66 kJ/mol; (20)Boiling Point: 482 °C at 760 mmHg; (21)Vapour Pressure: 4.22E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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: Brc1ccc(NC(=O)/C=C\C(=O)O)cc1
(2)InChI: InChI=1/C10H8BrNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5-
(3)InChIKey: DSNFUZCLEZJCRN-WAYWQWQTBY
(4)Std. InChI: InChI=1S/C10H8BrNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5-
(5)Std. InChIKey: DSNFUZCLEZJCRN-WAYWQWQTSA-N

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