Benzeneacetic acid, a-amino-3-nitro- supplier

Name
AMINO-(3-NITRO-PHENYL)-ACETIC ACID
EINECS
CAS No. 30077-08-8
Article Data2
CAS DataBase
Density 1.473 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₄
Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 196.163
Flash Point 177.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,2-(m-nitrophenyl)- (6CI,7CI,8CI);2-(m-Nitrophenyl)glycine;3-Nitrophenylglycine;DL-m-Nitrophenylglycine;m-Nitro-DL-phenylglycine;
PSA 109.14000
LogP 1.90270

Benzeneacetic acid, a-amino-3-nitro- Specification

The Benzeneacetic acid, a-amino-3-nitro-, with the CAS registry number 30077-08-8, has the systematic name of amino(3-nitrophenyl)acetic acid. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C₈H₈N₂O₄.

The physical properties of Benzeneacetic acid, a-amino-3-nitro- are as following: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 75.36 Å²; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 47.45 cm³; (13)Molar Volume: 133.1 cm³; (14)Polarizability: 18.81×10^-24cm³; (15)Surface Tension: 72.7 dyne/cm; (16)Density: 1.473 g/cm³; (17)Flash Point: 177.7 °C; (18)Enthalpy of Vaporization: 65.11 kJ/mol; (19)Boiling Point: 370.3 °C at 760 mmHg; (20)Vapour Pressure: 3.89E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8N2O4/c9-7(8(11)12)5-2-1-3-6(4-5)10(13)14/h1-4,7H,9H2,(H,11,12)
(3)InChIKey: RJMYTHGQVJWWJO-UHFFFAOYAS

Product Name

AMINO-(3-NITRO-PHENYL)-ACETIC ACID

Benzeneacetic acid, a-amino-3-nitro- Specification

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