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95-74-9

95-74-9 structural image
Product Name: 3-Chloro-4-methylaniline
Formula: C7H8ClN
Synonyms: 3-Chloro-p-toluidine;3-Chloro-4-methylaniline;4-Amino-2-chlorotoluene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-chloro-p-toluidine is a brown solid with a mild odor. (NTP, 1992)
Boiling Point 468 to 471 °F at 760 mmHg (NTP, 1992)
Melting Point 79 °F (NTP, 1992)
Flash Point 212 °F (NTP, 1992)
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
Density 1.108 (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.085 mmHg at 77 °F (NTP, 1992)
Autoignition Temperature >/= 500 °C
Decomposition When heated to decomposition, it emits toxic fumes of /chlorine/ and /nitroxides/.
Dissociation Constants pKa = 4.05 (conjugate acid)
Kovats Retention Index 1257.3
Other Experimental Properties Granular, gray-colored powder with a mothball-like odor. MP: 220-230 °C; Density 0.44 mg/L. Solubility in water: 91 g/L at 30 °C; VP: 1.408X10-2 Pa (1.056X10-4 mm Hg) at 25 °C; pH = 2.67. Stable at normal temperatures. /3-Chloro-p-toluidine hydrochloride/
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 141.60 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 141.0345270 g/mol
Monoisotopic Mass 141.0345270 g/mol
Topological Polar Surface Area 26 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 94.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-chloro-p-toluidine is a brown solid with a mild odor. (NTP, 1992)

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