Benzeneacetic acid,4-hydroxy-3,5-dinitro- supplier

Name
3,5-DINITRO-4-HYDROXYPHENYLACETIC ACID
EINECS
CAS No. 10463-37-3
Article Data4
CAS DataBase
Density 1.742 g/cm³
Solubility
Melting Point 166-168 °C
Formula C₈H₆N₂O₇
Boiling Point 417.3 °C at 760 mmHg
Molecular Weight 242.14
Flash Point 184.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Aceticacid, (4-hydroxy-3,5-dinitrophenyl)- (6CI,7CI,8CI);3,5-Dinitro-4-hydroxybenzeneacetic acid;3,5-Dinitro-4-hydroxyphenylaceticacid;4-Hydroxy-3,5-dinitrophenylacetic acid;NSC 151241;(4-hydroxy-3,5-dinitrophenyl)acetic acid;
PSA 149.17000
LogP 1.88210

Benzeneacetic acid,4-hydroxy-3,5-dinitro- Specification

The Benzeneacetic acid,4-hydroxy-3,5-dinitro-, with the CAS registry number 10463-37-3, has the systematic name of (4-hydroxy-3,5-dinitrophenyl)acetic acid. It belongs to the produt categories of Aromatic Phenylacetic Acids and Derivatives. And the molecular formula of this chemical is C₈H₆N₂O₇. In addition, it is a haptenic determinant.

The physical properties of Benzeneacetic acid,4-hydroxy-3,5-dinitro- are as following: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.91; (4)ACD/LogD (pH 7.4): -3.57; (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: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 127.17 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 52.33 cm³; (15)Molar Volume: 138.9 cm³; (16)Polarizability: 20.74×10^-24cm³; (17)Surface Tension: 93 dyne/cm; (18)Density: 1.742 g/cm³; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 70.71 kJ/mol; (21)Boiling Point: 417.3 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting 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=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)CC(=O)O
(2)InChI: InChI=1/C8H6N2O7/c11-7(12)3-4-1-5(9(14)15)8(13)6(2-4)10(16)17/h1-2,13H,3H2,(H,11,12)
(3)InChIKey: MLVYQQLUGFSXQH-UHFFFAOYAL

Product Name

3,5-DINITRO-4-HYDROXYPHENYLACETIC ACID

Benzeneacetic acid,4-hydroxy-3,5-dinitro- Specification

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