3,5-Dinitrosalicylic acid supplier

Name
3,5-Dinitrosalicylic acid
EINECS 210-204-3
CAS No. 609-99-4
Article Data43
CAS DataBase
Density 1.838 g/cm³
Solubility Soluble in water
Melting Point 170 °C
Formula C₇H₄ N₂ O₇
Boiling Point 387.2 °C at 760 mmHg
Molecular Weight 228.118
Flash Point 173.8 °C
Transport Information UN 2811
Appearance Off-white crystals
Safety 22-24/25-36-26
Risk Codes 22-37/38-36/37/38
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Salicylicacid, 3,5-dinitro- (6CI,7CI,8CI);2-Hydroxy-3,5-dinitrobenzoic acid;3,5-Dinitro-2-hydroxybenzoic acid;NSC 181;3,5-Dinitrosalicylic acid;
PSA 149.17000
LogP 1.95320

Synthetic route

: 102976-80-7
Meisenheimer complex A

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sodium hydroxide for 1.5h; Ambient temperature;	95%
Multi-step reaction with 3 steps 1: 84 percent / potassium thiphenoxide / methanol / 0.5 h / Ambient temperature 2: 90 percent / 20percent HCl / 1 h / Ambient temperature 3: 77 percent / NaOH / H2O / 0.5 h / 80 °C View Scheme

: 102976-79-4
Potassium; 2,4-dinitro-6-(2-thiocyanato-ethoxycarbonyl)-phenolate

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With potassium hydroxide In water at 80℃; for 0.25h;	94%

: 2497-91-8
2-chloro-3,5-dinitrobenzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With pyridine; copper; potassium carbonate In water for 2h; Heating;	93%
With sodium hydroxide In water at 60℃;	86%
With sodium hydroxide In water at 25℃; Rate constant; in the presence of cetyltrimethylammonium chloride; other surfactants; var. conc. of NaOH;

: 69-72-7
salicylic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In sulfuric acid at 20℃; for 0.5h;	93%
With Zn(NO3)2*2N2O4 In dichloromethane for 0.333333h; Heating;	88%
In conc. nitric acid; sulfuric acid; water	84%

: 102941-66-2
2-Hydroxy-3,5-dinitro-benzoic acid 2-thiocyanato-ethyl ester

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sulfuric acid for 3h; Heating;	88%

: 102941-62-8
3,5-dinitro-2-(2-hydroxyethoxy)benzoic acid, methyl ester

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 80℃; for 0.5h;	77%
Multi-step reaction with 3 steps 1: 97 percent / methanol / 4 h / Ambient temperature 2: 0.10 g / methanol / 1 h / Ambient temperature 3: 95 percent / aq. NaOH / 1.5 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: 94 percent / methanol / 0.5 h / Ambient temperature 2: 95 percent / aq. NaOH / 1.5 h / Ambient temperature View Scheme

: 623-11-0
1-methyl-4-nitrosobenzene

: 609-97-2
2-amino-3,5-dinitro-benzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

: 2497-91-8
2-chloro-3,5-dinitrobenzoic acid

: furan-2,3,5(4H)-trione pyridine (1:1)

: 609-99-4
3,5-dinitrosalicylic acid

: 52803-54-0
2-hydroxy-3,5-dinitro-benzoic acid-(4-nitro-phenyl ester)

: furan-2,3,5(4H)-trione pyridine (1:1)

A: 100-02-7
4-nitro-phenol

B: 609-99-4
3,5-dinitrosalicylic acid

...Expand

: 85-38-1
3-nitrosalicylic acid

A: 573-56-8
2,6-dinitrophenol

B: 609-99-4
3,5-dinitrosalicylic acid

: 96-97-9
5-nitrosalicylic acid

A: 609-99-4
3,5-dinitrosalicylic acid

B: 88-89-1
2,4,6-Trinitrophenol

Conditions

Conditions	Yield
With nitric acid

: 25844-84-2
2-hydroxy-3,5-dinitro-benzonitrile

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
bei der Verseifung;

: 22049-25-8
2-iodo-3,5-dinitro-benzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 52040-46-7
2-hydroxy-3,5-dinitro-benzoic acid phenyl ester

: furan-2,3,5(4H)-trione pyridine (1:1)

A: 609-99-4
3,5-dinitrosalicylic acid

B: 108-95-2
phenol

...Expand

: 616-76-2
2-hydroxy-5-formylbenzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With nitric acid at 0 - 5℃;

: 609-97-2
2-amino-3,5-dinitro-benzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With alkaline solution
Multi-step reaction with 2 steps 1: sodium nitrite; aqueous sulfuric acid / Eintragen des Reaktionsgemisches in kaltes Wasser und Behandeln der erhaltenen Diazoniumsalz-Loesung mit wss. Kaliumjodid-Loesung 2: aq. NaOH solution View Scheme

: 445-65-8
2-fluoro-3,5-dinitrobenzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sodium hydroxide
With water

: 22603-10-7
2-amino-3,5-dinitro-benzoic acid methyl ester

: furan-2,3,5(4H)-trione pyridine (1:1)

: 609-99-4
3,5-dinitrosalicylic acid

: 102312-37-8
2,3,5-trinitro-benzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With water

: 2-hydroxy-3,5-dinitro-benzoic acid-(2-nitro-phenyl ester)

: furan-2,3,5(4H)-trione pyridine (1:1)

A: 609-99-4
3,5-dinitrosalicylic acid

B: 88-75-5
2-hydroxynitrobenzene

...Expand

: 119-36-8
methyl salicylate

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid durch Verseifen mit konz. Kalilauge;

: 75-60-5
Dimethylarsinic acid

: 52040-82-1
3,5-dinitrosalicylic acid anion

A: 609-99-4
3,5-dinitrosalicylic acid

B: 15132-04-4
cacodylic acid anion

Conditions

Conditions	Yield
at 25℃; Rate constant;

...Expand

: 19073-90-6
3.5-Dinitro-aspirin, (O-Acetyl-3.5-dinitro-salicylsaeure)

A: 609-99-4
3,5-dinitrosalicylic acid

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
With water In acetonitrile at 25℃; Rate constant;

: 2-(2-Carboxy-benzenesulfinyl)-3,5-dinitro-benzoic acid

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
With water In 1,4-dioxane

: 110-89-4
piperidine

: 2497-91-8
2-chloro-3,5-dinitrobenzoic acid

copper-powder: copper-powder

: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
in Gegenwart von saeurebindenden Mitteln;

...Expand

: 16238-02-1
2-methyl-5,7-dinitro-benzofuran

: 67-64-1
acetone

potassium permanganate: potassium permanganate

: 609-99-4
3,5-dinitrosalicylic acid

...Expand

: 7697-37-2
nitric acid

: 64-19-7
acetic acid

: 69-72-7
salicylic acid

A: 85-38-1
3-nitrosalicylic acid

B: 66-56-8
2,3-dinitrophenol

C: 96-97-9
5-nitrosalicylic acid

D: 609-99-4
3,5-dinitrosalicylic acid

...Expand

: 2460-59-5
3,5-dinitrosalicylaldehyde

alkaline permanganate: alkaline permanganate

: 609-99-4
3,5-dinitrosalicylic acid

: 2497-91-8
2-chloro-3,5-dinitrobenzoic acid

: 7732-18-5
water

A: 51-28-5
2,4-Dinitrophenol

B: 124-38-9
carbon dioxide

C: 609-99-4
3,5-dinitrosalicylic acid

Conditions

Conditions	Yield
at 180 - 190℃;

...Expand

: 67-56-1
methanol

: 609-99-4
3,5-dinitrosalicylic acid

: 22633-33-6
methyl-3,5-dinitrosalicylate

Conditions

Conditions	Yield
With sulfuric acid for 15h; Heating;	94%
With sulfuric acid
With sulfuric acid for 24h; Heating;	2.1 g

3,5-Dinitrosalicylic acid Consensus Reports

Reported in EPA TSCA Inventory.

3,5-Dinitrosalicylic acid Standards and Recommendations

DOT Classification: Forbidden

3,5-Dinitrosalicylic acid Specification

3,5-Dinitrosalicylic acid, with the CAS NO.609-99-4, is also called 2-hydroxy-3,5-dinitro-benzoicaci; 3,5-dinitrosalicylic; 3,5-dinitro-salicylicaci; Benzoic acid, 2-hydroxy-3,5-dinitro-; Salicylic acid, 3,5-dinitro-; LABOTEST-BB LT00060163; 3,5-DINITROSALICYLIC ACID HYDRATE. It is mainly used in assay of alpha-amylase.

Physical properties about 3,5-Dinitrosalicylic acid are: (1)ACD/LogP: 2.931; (2)ACD/LogD (pH 5.5): -0.26; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.704; (12)Molar Refractivity: 48.156 cm³; (13)Molar Volume: 124.076 cm³; (14)Polarizability: 19.09 10-24cm³; (15)Surface Tension: 103.111999511719 dyne/cm; (16)Density: 1.839 g/cm³; (17)Flash Point: 173.794 °C; (18)Enthalpy of Vaporization: 67.105 kJ/mol; (19)Boiling Point: 387.179 °C at 760 mmHg

When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12);
(2)InChIKey=LWFUFLREGJMOIZ-UHFFFAOYSA-N;
(3)Smilesc1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O)C(O)=O;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	270mg/kg (270mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.
rat	LD50	oral	860mg/kg (860mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.

Product Name

3,5-Dinitrosalicylic acid

Synthetic route

3,5-Dinitrosalicylic acid Consensus Reports

3,5-Dinitrosalicylic acid Standards and Recommendations

3,5-Dinitrosalicylic acid Specification

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