5-Nitronaphthalene-1-carboxylic acid supplier

Name
5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID
EINECS
CAS No. 1975-44-6
Article Data15
CAS DataBase
Density 1.468 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Naphthoicacid, 5-nitro- (6CI,7CI,8CI);5-Nitro-1-naphthalenecarboxylic acid;5-Nitro-1-naphthoic acid;
PSA 83.12000
LogP 2.96940

Synthetic route

: 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

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

: 86-55-5
1-naphthalenecarboxylic acid

: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

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

Conditions	Yield
With copper; toluene

: 99972-57-3
5-nitro-1-hydroxymethylnaphthalene

: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 25029-79-2
8-bromo-5-nitro-naphthalene-1-carboxylic acid

: 91-17-8
decalin

copper-powder: copper-powder

: 1975-44-6
5-nitro-1-naphthoic acid

...Expand

: 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

D 4.5-dinitro-naphthoic acid-(1)-methyl ester: 4.5-dinitro-naphthoic acid-(1)-methyl ester

...Expand

: 7647-01-0
hydrogenchloride

: 23245-64-9
5-Nitro-1-naphthalenecarbonitrile

: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

Conditions	Yield
at 150 - 160℃; im geschlossenen Rohr;

5-nitro-naphthoic acid-(1)-nitrile: 5-nitro-naphthoic acid-(1)-nitrile

: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 150 - 160℃; im geschlossenen Rohr;

8-bromo-5-nitro-naphthoic acid-(1): 8-bromo-5-nitro-naphthoic acid-(1)

: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

Conditions	Yield
With copper; decalin

amide of/the/ α-naphthoic acid: amide of/the/ α-naphthoic acid

A: 1975-44-6
5-nitro-1-naphthoic acid

B: 38514-76-0
8-nitro-[1]naphthoic acid amide

Conditions

Conditions	Yield
With nitric acid

: 86-55-5
1-naphthalenecarboxylic acid

: 7697-37-2
nitric acid

A: 86-57-7
1-Nitronaphthalene

B: 1975-44-6
5-nitro-1-naphthoic acid

C: 2216-13-9
8-nitro-1-naphthalenecarboxylic acid

...Expand

: 86-55-5
1-naphthalenecarboxylic acid

: 7697-37-2
nitric acid

: 64-19-7
acetic acid

A: 86-57-7
1-Nitronaphthalene

B: 1975-44-6
5-nitro-1-naphthoic acid

C: 2216-13-9
8-nitro-1-naphthalenecarboxylic acid

...Expand

: 86-55-5
1-naphthalenecarboxylic acid

: 64-19-7
acetic acid

red fuming nitric acid: red fuming nitric acid

A: 1975-44-6
5-nitro-1-naphthoic acid

B: 2216-13-9
8-nitro-1-naphthalenecarboxylic acid

C 6.8(?)-dinitro-naphthoic acid-(1): 6.8(?)-dinitro-naphthoic acid-(1)

...Expand

: 2243-81-4
1-naphthylcarboxamide

A: 1975-44-6
5-nitro-1-naphthoic acid

B amide of/the/ 8-nitro-naphthoic acid-(1): amide of/the/ 8-nitro-naphthoic acid-(1)

Conditions

Conditions	Yield
With nitric acid

: 2243-81-4
1-naphthylcarboxamide

: 7697-37-2
nitric acid

A: 1975-44-6
5-nitro-1-naphthoic acid

B amide of/the/ 8-nitro-naphthoic acid-(1): amide of/the/ 8-nitro-naphthoic acid-(1)

...Expand

: 6639-35-6
5-nitro-1-naphthaldehyde

: 67-64-1
acetone

aqueous KMnO4-solution: aqueous KMnO4-solution

: 1975-44-6
5-nitro-1-naphthoic acid

...Expand

: 27683-83-6
8-chloro-5-nitro-[1]naphthoic acid

: 108-88-3
toluene

copper-powder: copper-powder

: 1975-44-6
5-nitro-1-naphthoic acid

...Expand

: 7647-01-0
hydrogenchloride

: 8-carboxy-4-nitro-[1]naphthylmercury (1+)-betaine

: 1975-44-6
5-nitro-1-naphthoic acid

: 6642-29-1
4-nitronaphthalic-1,8-anhydride

A: 1975-43-5
4-nitro-1-naphthoic acid

B: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

Conditions	Yield
Stage #1: 4-nitronaphthalic-1,8-anhydride With sodium hydroxide In water at 100℃; for 0.0166667h; microwave irradiation; Stage #2: With mercury(II) diacetate In water at 200℃; for 0.5h; Pesci reaction; microwave irradiation; Stage #3: With hydrogenchloride In water at 120℃; for 0.25h; microwave irradiation; Title compound not separated from byproducts;

: 6625-54-3
5-nitro-1-chloromethylnaphthalene

: 1975-44-6
5-nitro-1-naphthoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous Na2CO3 2: CrO3; acetic acid View Scheme

: (1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

: 1975-44-6
5-nitro-1-naphthoic acid

: N-[(1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(trifluoromethyl)benzyl]ethyl]-5-nitronaphthalene-1-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile at 20℃;	95%

: 64-17-5
ethanol

: 1975-44-6
5-nitro-1-naphthoic acid

: 91901-43-8
ethyl 5-nitro-1-naphthoate

Conditions

Conditions	Yield
With sulfuric acid for 24h; Heating / reflux;	92%
With sulfuric acid Heating;	88%

: 10332-17-9
Met-OMe

: 1975-44-6
5-nitro-1-naphthoic acid

: 174638-32-5
(S)-4-Methylsulfanyl-2-[(5-nitro-naphthalene-1-carbonyl)-amino]-butyric acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide for 20h;	72%

: 67-56-1
methanol

: 1975-44-6
5-nitro-1-naphthoic acid

: 59866-98-7
methyl 5-nitronaphthalene-1-carboxylate

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride

: 86-55-5
1-naphthalenecarboxylic acid

: 1975-44-6
5-nitro-1-naphthoic acid

: 5-nitro-[1]naphthoic acid ; compound with naphthoic acid-(1)

Conditions

Conditions	Yield
With ethanol

: 1975-44-6
5-nitro-1-naphthoic acid

: 32018-88-5
5-amino-1-naphthoic acid

Conditions

Conditions	Yield
With ammonia; iron(II) sulfate
With ammonium hydroxide; iron(II) sulfate
(electrochemical reduction);

: 1975-44-6
5-nitro-1-naphthoic acid

: 5-nitro-[1]naphthoic acid amide

Conditions

Conditions	Yield
With thionyl chloride Einw. von Ammoniak;

: 1975-44-6
5-nitro-1-naphthoic acid

: 5333-16-4
5-nitro-1-naphthoic acid chloride

Conditions

Conditions	Yield
With thionyl chloride
With phosphorus pentachloride In ethyl acetate Ambient temperature;
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h;

: 1975-44-6
5-nitro-1-naphthoic acid

: 99972-07-3
4,5-dinitro-[1]naphthoic acid

Conditions

Conditions	Yield
With nitric acid Reaktion ueber mehrere Stufen;

: 1975-44-6
5-nitro-1-naphthoic acid

: 5,8-dinitro-[1]naphthoic acid

Conditions

Conditions	Yield
With nitric acid Reaktion ueber mehrere Stufen;

: 1975-44-6
5-nitro-1-naphthoic acid

: 1-Hydroxylamino-5-carboxynaphthalin

Conditions

Conditions	Yield
(electrochemical reduction);

: 1975-44-6
5-nitro-1-naphthoic acid

: 99972-57-3
5-nitro-1-hydroxymethylnaphthalene

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran	0.9 g

: 1975-44-6
5-nitro-1-naphthoic acid

: 140-80-7
5-diethylamino-2-pentylamine

: 345584-86-3
5-Nitro-naphthalene-1-carboxylic acid (4-diethylamino-1-methyl-butyl)-amide

: 1975-44-6
5-nitro-1-naphthoic acid

: 7697-37-2
nitric acid

: 603-11-2
3-nitrophthalic acid

: 1975-44-6
5-nitro-1-naphthoic acid

KMnO4: KMnO4

alkali: alkali

: 603-11-2
3-nitrophthalic acid

...Expand

: 1975-44-6
5-nitro-1-naphthoic acid

: 7697-37-2
nitric acid

: 605-71-0
1,5-dinitronaphthalene

: 1975-44-6
5-nitro-1-naphthoic acid

: 7697-37-2
nitric acid

A: 99972-07-3
4,5-dinitro-[1]naphthoic acid

B: 5,8-dinitro-[1]naphthoic acid

C: 605-71-0
1,5-dinitronaphthalene

D 5.x-dinitro-naphthoic acid-(1): 5.x-dinitro-naphthoic acid-(1)

...Expand

5-Nitronaphthalene-1-carboxylic acid 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

Product Name

5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID

Synthetic route

5-Nitronaphthalene-1-carboxylic acid Specification

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