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| CAS No.: | 96-96-8 |
|---|---|
| Name: | Azoic Diazo Component 1 |
| Article Data: | 61 |
| Molecular Structure: | |
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|
|
| Formula: | C7H8N2O3 |
| Molecular Weight: | 168.152 |
| Synonyms: | p-Anisidine,2-nitro- (8CI);1-Amino-2-nitro-4-methoxybenzene;2-Nitro-4-methoxyaniline;2-Nitro-4-methoxybenzenamine;2-Nitro-p-anisidine;3-Nitro-4-aminoanisole;4-Amino-1-methoxy-3-nitrobenzene;4-Amino-3-nitroanisole;4-Methoxy-2-nitroaniline;4-Methoxy-2-nitrobenzenamine;4-Methoxy-2-nitrohbenzenamine;4-Methoxy-2-nitrophenylamine;4-Methoxy-o-nitroaniline;Acco Fast Bordeaux GP salt;Atul Fast Bordeaux GP Base;Azoene Fast Bordeaux GP Salt;Bordeaux Base Ciba IV;Bordeaux GPS Salt;o-Nitro-p-anisidine; |
| EINECS: | 202-547-2 |
| Density: | 1.318 g/cm3 |
| Melting Point: | 123-126 °C(lit.) |
| Boiling Point: | 338.3 °C at 760 mmHg |
| Flash Point: | 158.4 °C |
| Solubility: | slightly soluble |
| Appearance: | orange to red powder |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 26/27/28-33-52/53 |
| Safety: | 28-36/37-45-61 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 81.07000 |
| LogP: | 2.29000 |
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- 97484-76-91-(prop-2-ynyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
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- 98084-25-4CESIUM TITANATE 99.9+%
- Total:29 Page 1 of 1 1
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Consensus Reports
Specification
The IUPAC name of this chemical is 4-Methoxy-2-nitroaniline. With the CAS registry number 96-96-8 and EINECS registry number 202-547-2, it is also named as 2-Nitro-4-methoxyaniline. In addition, the molecular formula is C7H8N2O3 and the molecular weight is 168.15. It is a kind of orange crystalline powder and belongs to the classes of Intermediates of Dyes and Pigments; Anilines, Aromatic Amines and Nitro Compounds; Organics.
Physical properties about this chemical are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.62; (6)ACD/BCF (pH 7.4): 17.62; (7)ACD/KOC (pH 5.5): 271.32; (8)ACD/KOC (pH 7.4): 271.33; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.29 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 43.71 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 17.32 ×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.318 g/cm3; (19)Flash Point: 158.4 °C; (20)Enthalpy of Vaporization: 58.16 kJ/mol; (21)Boiling Point: 338.3 °C at 760 mmHg; (22)Vapour Pressure: 9.93E-05 mmHg at 25°C.
Preparation of 4-Methoxy-2-nitroaniline: it can be prepared by p-methoxyacetylaniline through nitration and hydrolysis. Add p-methoxyacetylaniline and sodium hydrogen sulfite into chlorobenzene. Then add nitric acid into the mixture in 4 hours at temperature of 25-30 °C. In the process, add sodium hydrogen sulfite one time every hour. After adding the material, the reaction should react for 1.5 hours at the temperature of 25-30 °C. After the reaction, through a series of neutralization,distillation and drying you can get the product.
Uses of 4-Methoxy-2-nitroaniline: it is used as intermediate for photosensitive material, dye and medicine. And it can be used in dyeing cotton, hemp and glue fabric. In addition, it can be usd as colour reagents.
When you are using this chemical, please be cautious about it as the following:
It is very toxic by inhalation, in contact with skin and if swallowed. And it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In addition, it has danger of cumulative effects. During using it, Wear suitable protective clothing and gloves. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). You should avoid release to the environment. And you can refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(OC)c1)N
(2)InChI: InChI=1/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
(3)InChIKey: QFMJFXFXQAFGBO-UHFFFAOYAL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 14100mg/kg (14100mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 718, 1986. |