Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Nitronaphthalene-1-carboxylic acid |
EINECS | N/A |
CAS No. | 1975-44-6 | Density | 1.468 g/cm3 |
PSA | 83.12000 | LogP | 2.96940 |
Solubility | N/A | Melting Point |
241.5°C |
Formula | C11H7NO4 | Boiling Point | 449.3 °C at 760 mmHg |
Molecular Weight | 217.181 | Flash Point | 199.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Naphthoicacid, 5-nitro- (6CI,7CI,8CI);5-Nitro-1-naphthalenecarboxylic acid;5-Nitro-1-naphthoic acid; |
Article Data | 15 |
1-naphthalenecarboxylic acid
A
5-nitro-1-naphthoic acid
B
8-nitro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With nitric acid for 4h; | A 37% B 44% |
With nitric acid Trennung durch Behandeln mit Soda anschliessend mit Salzsaeure und Umkrystallisieren aus Alkohol; | |
With nitric acid |
Conditions | Yield |
---|---|
With nitric acid; acetic acid Isolierung aus dem Reaktionsprodukts ueber den Methylester; | |
With nitric acid; acetic acid Isolierung aus dem Reaktionsprodukts ueber den Aethylester; | |
With X-NO2 |
8-chloro-5-nitro-[1]naphthoic acid
5-nitro-1-naphthoic acid
Conditions | Yield |
---|---|
With copper; toluene |
5-nitro-1-hydroxymethylnaphthalene
5-nitro-1-naphthoic acid
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid |
8-bromo-5-nitro-naphthalene-1-carboxylic acid
decalin
5-nitro-1-naphthoic acid
methyl 1-naphthoate
sulfuric acid
nitric acid
A
5-nitro-1-naphthoic acid
B
8-nitro-1-naphthalenecarboxylic acid
C
4,5-dinitro-[1]naphthoic acid
hydrogenchloride
5-Nitro-1-naphthalenecarbonitrile
5-nitro-1-naphthoic acid
Conditions | Yield |
---|---|
at 150 - 160℃; im geschlossenen Rohr; |
5-nitro-1-naphthoic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 150 - 160℃; im geschlossenen Rohr; |
5-nitro-1-naphthoic acid
Conditions | Yield |
---|---|
With copper; decalin |
A
5-nitro-1-naphthoic acid
B
8-nitro-[1]naphthoic acid amide
Conditions | Yield |
---|---|
With nitric acid |
The 5-Nitronaphthalene-1-carboxylic acid, with the CAS registry number 1975-44-6, is also called 5-Nitro-1-naphthoic acid. And the molecular formula of the chemical is C11H7NO4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.42; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.12 Å2; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 57.57 cm3; (14)Molar Volume: 147.9 cm3; (15)Polarizability: 22.82×10-24cm3; (16)Surface Tension: 70.5 dyne/cm; (17)Density: 1.468 g/cm3; (18)Flash Point: 199.2 °C; (19)Enthalpy of Vaporization: 74.6 kJ/mol; (20)Boiling Point: 449.3 °C at 760 mmHg; (21)Vapour Pressure: 7.4E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2cccc1c(cccc12)C(=O)O
(2)InChI: InChI=1/C11H7NO4/c13-11(14)9-5-1-4-8-7(9)3-2-6-10(8)12(15)16/h1-6H,(H,13,14)
(3)InChIKey: XOUKDQBDXPQJJI-UHFFFAOYAZ