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Cas Database |
| Name |
Benzenesulfonylchloride, 2-amino-4-chloro-5-methyl- |
EINECS | N/A |
| CAS No. | 104613-64-1 | Density | 1.533 g/cm3 |
| PSA | 68.54000 | LogP | 3.82010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H7Cl2NO2S | Boiling Point | 361.855 °C at 760 mmHg |
| Molecular Weight | 240.11 | Flash Point | 172.644 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Amino-4-chloro-5-methylbenzenesulfonylchloride; |
Article Data | 4 |
Benzenesulfonylchloride, 2-amino-4-chloro-5-methyl- Specification
The Benzenesulfonylchloride, 2-amino-4-chloro-5-methyl- is an organic compound with the formula C7H7Cl2NO2S. The systematic name of this chemical is 2-amino-4-chloro-5-methyl-benzenesulfonyl chloride and the CAS registry number is 104613-64-1. In addition, the molecular weight is 240.11.
The other characteristics of Benzenesulfonylchloride, 2-amino-4-chloro-5-methyl- can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.238; (4)ACD/LogD (pH 7.4): 2.238; (5)ACD/BCF (pH 5.5): 29.564; (6)ACD/BCF (pH 7.4): 29.564; (7)ACD/KOC (pH 5.5): 392.992; (8)ACD/KOC (pH 7.4): 392.992; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.54 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.469 cm3; (15)Molar Volume: 156.595 cm3; (16)Polarizability: 21.197×10-24 cm3; (17)Surface Tension: 54.536 dyne/cm; (18)Density: 1.533 g/cm3; (19)Flash Point: 172.644 °C; (20)Enthalpy of Vaporization: 60.773 kJ/mol; (21)Boiling Point: 361.855 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cc(c(cc1Cl)N)S(=O)(=O)Cl
2. InChI:InChI=1/C7H7Cl2NO2S/c1-4-2-7(13(9,11)12)6(10)3-5(4)8/h2-3H,10H2,1H3
3. InChIKey:MZNFQQLADSWLLV-UHFFFAOYAB
4. Std. InChI:InChI=1S/C7H7Cl2NO2S/c1-4-2-7(13(9,11)12)6(10)3-5(4)8/h2-3H,10H2,1H3
5. Std. InChIKey:MZNFQQLADSWLLV-UHFFFAOYSA-N
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