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| CAS No.: | 542-16-5 |
|---|---|
| Name: | Aniline sulfate |
| Article Data: | 11 |
| Molecular Structure: | |
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|
|
| Formula: | C12H16N2O4S |
| Molecular Weight: | 284.336 |
| Synonyms: | Bisanilinium sulfate; |
| EINECS: | 208-805-0 |
| Density: | 1.38 |
| Melting Point: | -6oC |
| Boiling Point: | 184.4 °C at 760 mmHg |
| Flash Point: | 70 °C |
| Solubility: | Soluble in water |
| Appearance: | white to very slightly yellow crystalline powder |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 23/24/25-40-41-43-48/23/24/25-50-68 |
| Safety: | 26-27-36/37/39-45-61-63 |
| PSA: | 109.00000 |
| LogP: | 2.27800 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- Total:14 Page 1 of 1 1
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Specification
The Aniline sulfate, with the CAS registry number 542-16-5, is also known as Bisanilinium sulfate. It belongs to the product categories of Amine Salts; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 208-805-0. This chemical's molecular formula is C12H16N2O4S and molecular weight is 284.33. What's more, its IUPAC name is called Aniline; sulfuric acid. This chemical should be sealed from light. Its appearance is white to very slightly yellow crystalline powder.
Physical properties about Aniline sulfate are: (1)ACD/LogP: 0.94; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 3.03; (7)ACD/KOC (pH 5.5): 68.18; (8)ACD/KOC (pH 7.4): 76.85; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24Å2; (13)Flash Point: 70 °C; (14)Enthalpy of Vaporization: 42.44 kJ/mol; (15)Boiling Point: 184.4 °C at 760 mmHg; (16)Vapour Pressure: 0.733 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. And it may present an immediate or delayed danger to one or more components of the environment. There are some limited evidence of a carcinogenic effect. This chemical may cause sensitisation by skin contact. What's more, it has risk of serious damage to eyes and aquatic organisms. In addition, this chemical may cause serious damage to health by prolonged exposure through inhalation, in contact with skin and if it is swallowed. Also, it has possible risk of irreversible effects. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You had better take off immediately all contaminated clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. If you feel unwell seek medical advice immediately. Because of the toxicity of this chemical, you should avoid releasing it to the environment. Also you can use some special instructions/safety data sheet. In addition, in case of accident by inhalation: remove casualty to fresh air and keep at rest.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)O.c1c(N)cccc1.Nc1ccccc1
(2) InChI: InChI=1/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H2,1,2,3,4)
(3) InChIKey: FUKMEFZGEMVGLD-UHFFFAOYAV