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| CAS No.: | 4025-75-6 |
|---|---|
| Name: | (4-Nitrophenyl)methanesulfonyl chloride |
| Article Data: | 14 |
| Molecular Structure: | |
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|
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| Formula: | C7H6ClNO4S |
| Molecular Weight: | 235.648 |
| Synonyms: | a-Toluenesulfonyl chloride,p-nitro- (6CI,7CI,8CI);(4-Nitrophenyl)methanesulfonyl chloride;(p-Nitrophenyl)methanesulfonyl chloride;4-Nitrobenzenemethanesulfonylchloride;4-Nitrobenzylsulfonyl chloride;p-Nitro-a-toluenesulfonyl chloride;p-Nitrobenzylsulfonylchloride; |
| EINECS: | 609-806-2 |
| Density: | 1.57g/cm3 |
| Melting Point: | 91-92°C |
| Boiling Point: | 396.4 °C at 760 mmHg |
| Flash Point: | 193.6 °C |
| Solubility: | Reacts with water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-29-34 |
| Safety: | 22-26-30-36/37/39-45 |
| PSA: | 88.34000 |
| LogP: | 3.26740 |
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Specification
The (4-Nitrophenyl)methanesulfonyl chloride with the CAS number 4025-75-6 is also called Benzenemethanesulfonylchloride, 4-nitro-. Its molecular formula is C7H6ClNO4S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the (4-Nitrophenyl)methanesulfonyl chloride are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.4; (6)ACD/BCF (pH 7.4): 12.4; (7)ACD/KOC (pH 5.5): 211.06; (8)ACD/KOC (pH 7.4): 211.06; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 88.34 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 51.06 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 20.24×10-24cm3; (17)Surface Tension: 62.1 dyne/cm; (18)Enthalpy of Vaporization: 62.15 kJ/mol; (19)Vapour Pressure: 3.9×10-6 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical can cause burns. It reacts violently with water and contacts with water liberates toxic gas. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Secondly you should not add water to this product. Thirdly you should wear suitable protective clothing, gloves and eye/face protection. Finally in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)Cc1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C7H6ClNO4S/c8-14(12,13)5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
(3)InChIKey: CAXRPEAFHWDFTD-UHFFFAOYAG