CAS No.13244-35-4,2-CHLORO-4-(METHYLSULFONYL)ANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13244-35-4
Name:	2-CHLORO-4-(METHYLSULFONYL)ANILINE
Article Data:	5

Formula:	C7H8 Cl N O2 S
Molecular Weight:	205.665
Synonyms:	Aniline,2-chloro-4-(methylsulfonyl)- (6CI,7CI,8CI); 2-Chloro-4-(methylsulfonyl)aniline;3-Chloro-4-aminophenylmethylsulfone; 4-Amino-3-chlorophenyl methyl sulfone
Density:	1.414g/cm³
Melting Point:	191-198 °C
Boiling Point:	400.1°Cat760mmHg
Flash Point:	195.8°C
Appearance:	pale purple to grey-brown crystalline powder
Hazard Symbols:
Risk Codes:	36/37/38
Safety:	Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NO_x, SO_x, and Cl⁻.
PSA:	68.54000
LogP:	2.98770

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Chemistry

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

Toxicity Data With Reference

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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 NO_x, SO_x, and Cl⁻.

Specification

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.