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Name |
2-Chloro-4-(methylsulfonyl)aniline |
EINECS | N/A |
CAS No. | 13244-35-4 | Density | 1.414g/cm3 |
PSA | 68.54000 | LogP | 2.98770 |
Solubility | N/A | Melting Point |
191-198 °C
|
Formula | C7H8 Cl N O2 S | Boiling Point | 400.1°Cat760mmHg |
Molecular Weight | 205.665 | Flash Point | 195.8°C |
Transport Information | N/A | Appearance | pale purple to grey-brown crystalline powder |
Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Aniline,2-chloro-4-(methylsulfonyl)- (6CI,7CI,8CI); 2-Chloro-4-(methylsulfonyl)aniline;3-Chloro-4-aminophenylmethylsulfone; 4-Amino-3-chlorophenyl methyl sulfone |
Article Data | 5 |
Molecular Structure of 2-Chloro-4-(methylsulfonyl)aniline (CAS NO.13244-35-4):
EINECS: 236-225-8
IUPAC Name: 2-Chloro-4-methylsulfonylaniline
Molecular Formula: C7H8ClNO2S
Molecular Weight: 205.661920 g/mol
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N)Cl
InChI: InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey: VLMRGLCBIFWPGL-UHFFFAOYSA-N
Index of Refraction: 1.583
Molar Refractivity: 48.64 cm3
Molar Volume: 145.4 cm3
Surface Tension: 50.8 dyne/cm
Density: 1.414 g/cm3
Flash Point: 195.8 °C
Enthalpy of Vaporization: 65.09 kJ/mol
Boiling Point: 400.1 °C at 760 mmHg
Vapour Pressure: 1.31E-06 mmHg at 25 °C
Melting Point: 191-198 °C
Water Solubility: 2.312e+004 mg/L at 25 °C
BRN: 2093959
1. | orl-rat LD50:9500 mg/kg | BCTKAG Bromatologia i Chemia Toksykologiczna. 13 (1980),107. | ||
2. | ipr-rat LDLo:1800 mg/kg | BCTKAG Bromatologia i Chemia Toksykologiczna. 13 (1980),107. |
Reported in EPA TSCA Inventory.
Safety Information of 2-Chloro-4-(methylsulfonyl)aniline (CAS NO.13244-35-4):
Hazard Codes: Xi
Hazard Note: Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
2-Chloro-4-(methylsulfonyl)aniline with CAS registry number of 13244-35-4 is pale purple to grey-brown crystalline powder, also known as 1-Amino-2-chloro-4-methylsulfonylbenzene ; 3-13-00-01327 (Beilstein Handbook Reference) ; 4-Amino-3-chlorofenylomethylosulfon ; 4-Amino-3-chlorofenylomethylosulfon [Polish] ; 4-Amino-3-chlorophenylmethylsulfone ; 4-Amino-3-chlorophenylmethylsulphone ; Benzenamine, 2-chloro-4-(methylsulfonyl)- ; 2-Chloro-4-mesylaniline ; Aniline, 2-chloro-4-(methylsulfonyl)- . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields irritating and toxic fumes and gases.