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| CAS No.: | 609-99-4 |
|---|---|
| Name: | 3,5-Dinitrosalicylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4 N2 O7 |
| Molecular Weight: | 228.118 |
| 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; |
| EINECS: | 210-204-3 |
| Density: | 1.838 g/cm3 |
| Melting Point: | 170 °C |
| Boiling Point: | 387.2 °C at 760 mmHg |
| Flash Point: | 173.8 °C |
| Solubility: | Soluble in water |
| Appearance: | Off-white crystals |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-37/38-36/37/38 |
| Safety: | 22-24/25-36-26 |
| Transport Information: | UN 2811 |
| PSA: | 149.17000 |
| LogP: | 1.95320 |
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- 102976-80-7
Meisenheimer complex A
- 609-99-4
3,5-dinitrosalicylic acid
| 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 | Yield |
|---|---|
| With potassium hydroxide In water at 80℃; for 0.25h; | 94% |
| 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; |
| 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 | 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 | 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 |
- 52803-54-0
2-hydroxy-3,5-dinitro-benzoic acid-(4-nitro-phenyl ester)
A
- 100-02-7
4-nitro-phenol
B
- 609-99-4
3,5-dinitrosalicylic acid
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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. |