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1975-44-6

Basic Information
CAS No.: 1975-44-6
Name: 5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID
Article Data: 15
Molecular Structure:
Molecular Structure of 1975-44-6 (5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID)
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
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With copper; toluene
99972-57-3

5-nitro-1-hydroxymethylnaphthalene

1975-44-6

5-nitro-1-naphthoic acid

Conditions
ConditionsYield
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

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

7647-01-0

hydrogenchloride

23245-64-9

5-Nitro-1-naphthalenecarbonitrile

1975-44-6

5-nitro-1-naphthoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With nitric acid
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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