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| CAS No.: | 1975-44-6 |
|---|---|
| Name: | 5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H7NO4 |
| Molecular Weight: | 217.181 |
| Synonyms: | 1-Naphthoicacid, 5-nitro- (6CI,7CI,8CI);5-Nitro-1-naphthalenecarboxylic acid;5-Nitro-1-naphthoic acid; |
| Density: | 1.468 g/cm3 |
| Melting Point: | 241.5°C |
| Boiling Point: | 449.3 °C at 760 mmHg |
| Flash Point: | 199.2 °C |
| PSA: | 83.12000 |
| LogP: | 2.96940 |
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- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 86-55-5
1-naphthalenecarboxylic acid
A
- 1975-44-6
5-nitro-1-naphthoic acid
B
- 2216-13-9
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 |
- 27683-83-6
8-chloro-5-nitro-[1]naphthoic acid
- 1975-44-6
5-nitro-1-naphthoic acid
| Conditions | Yield |
|---|---|
| With copper; toluene |
- 99972-57-3
5-nitro-1-hydroxymethylnaphthalene
- 1975-44-6
5-nitro-1-naphthoic acid
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; acetic acid |
- 25029-79-2
8-bromo-5-nitro-naphthalene-1-carboxylic acid
- 91-17-8
decalin
- 1975-44-6
5-nitro-1-naphthoic acid
- 2459-24-7
methyl 1-naphthoate
- 7664-93-9
sulfuric acid
- 7697-37-2
nitric acid
A
- 1975-44-6
5-nitro-1-naphthoic acid
B
- 2216-13-9
8-nitro-1-naphthalenecarboxylic acid
C
- 99972-07-3
4,5-dinitro-[1]naphthoic acid
- 7647-01-0
hydrogenchloride
- 23245-64-9
5-Nitro-1-naphthalenecarbonitrile
- 1975-44-6
5-nitro-1-naphthoic acid
| Conditions | Yield |
|---|---|
| at 150 - 160℃; im geschlossenen Rohr; |
- 1975-44-6
5-nitro-1-naphthoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 150 - 160℃; im geschlossenen Rohr; |
- 1975-44-6
5-nitro-1-naphthoic acid
| Conditions | Yield |
|---|---|
| With copper; decalin |
A
- 1975-44-6
5-nitro-1-naphthoic acid
B
- 38514-76-0
8-nitro-[1]naphthoic acid amide
| Conditions | Yield |
|---|---|
| With nitric acid |
- Total:33 Page 1 of 1 1
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Specification
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