Benzoic acid,5-nitro-2-(1-pyrrolidinyl)- supplier

Name
5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBOXYLIC ACID
EINECS
CAS No. 19555-48-7
Article Data4
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point 220 ºC
Formula C₁₁H₁₂N₂O₄
Boiling Point 446.4 ºC at 760 mmHg
Molecular Weight 236.227
Flash Point 223.8 ºC
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Pyrrolidino-5-nitrobenzoicacid;5-Nitro-2-pyrrolidin-1-ylbenzoic acid;5-Nitro-2-(1-pyrrolidinyl)benzenecarboxylic acid;
PSA 86.36000
LogP 2.48140

Benzoic acid,5-nitro-2-(1-pyrrolidinyl)- Specification

The Benzoic acid,5-nitro-2-(1-pyrrolidinyl)-, with the CAS registry number 19555-48-7, is also known as 5-Nitro-2-(1-pyrrolidinyl)benzenecarboxylic acid. This chemical's molecular formula is C₁₁H₁₂N₂O₄ and molecular weight is 236.22. What's more, its systematic name is 5-Nitro-2-pyrrolidin-1-ylbenzoic acid.

Physical properties of Benzoic acid,5-nitro-2-(1-pyrrolidinyl)- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.41; (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: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 59.93 cm³; (15)Molar Volume: 168.3 cm³; (16)Polarizability: 23.75×10^-24cm³; (17)Surface Tension: 65.1 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 223.8 °C; (20)Enthalpy of Vaporization: 74.25 kJ/mol; (21)Boiling Point: 446.4 °C at 760 mmHg; (22)Vapour Pressure: 9.44E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
(2)InChI: InChI=1S/C11H12N2O4/c14-11(15)9-7-8(13(16)17)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
(3)InChIKey: RQSZZLSHECUEDX-UHFFFAOYSA-N

Product Name

5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBOXYLIC ACID

Benzoic acid,5-nitro-2-(1-pyrrolidinyl)- Specification

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