NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2A IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 , 1978,p. 277.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 30 , 1983,p. 61.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

DFG MAK: Human Carcinogen
DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

The IUPAC name of 4-Chloro-o-toluidine is 4-chloro-2-methylaniline. With the CAS registry number 95-69-2, it is also named as para-Chloro-ortho-toluidine. The product's categories are Anilines; Aromatic Amines and Nitro Compounds. Besides, it is clear brown liquid, which should be stored in a cool, ventilated warehouse at 2-8 °C away from fire and heat source. In addition, its molecular formula is C₇H₈ClN and molecular weight is 141.60.

The other characteristics of this product can be summarized as: (1)EINECS: 202-441-6; (2)ACD/LogP: 2.22; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.21; (5)ACD/LogD (pH 7.4): 2.22; (6)ACD/BCF (pH 5.5): 27.87; (7)ACD/BCF (pH 7.4): 28.43; (8)ACD/KOC (pH 5.5): 374.53; (9)ACD/KOC (pH 7.4): 382.14; (10)#H bond acceptors: 1; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 40.2 cm³; (15)Molar Volume: 119.9 cm³; (16)Surface Tension: 42.7 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 99.4 °C; (19)Melting Point: 29 °C; (20)Water Solubility: 954 mg/L at 25 °C; (21)Enthalpy of Vaporization: 47.97 kJ/mol; (22)Boiling Point: 242.8 °C at 760 mmHg; (23)Vapour Pressure: 0.0334 mmHg at 25 °C.

Preparation and Uses of 4-Chloro-o-toluidine: this chemical can be prepared by the chlorination of o-Toluidine. Furthermore, this chemical is used as an important intermediate of pesticides, pharmaceutical and dyes. Similarly, it can react with Acetoacetic acid ethyl ester to get Acetoacetic acid-(4-chloro-2-methyl-anilide).



This reaction will occur for 35 min by microwave irradiation. The yield is 70 %.

When you are using this chemical, please be cautious about it as the following: it is toxic by inhalation, in contact with skin and if swallowed. It also may cause cancer. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible). Moreover, it is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. And it is possible risk of irreversible effects. You should avoid exposure - obtain special instructions before use. Additionally, this material and its container must be disposed of as hazardous waste. Please avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(c(N)cc1)C
(2)InChI: InChI=1/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
(3)InChIKey: CXNVOWPRHWWCQR-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
(5)Std. InChIKey: CXNVOWPRHWWCQR-UHFFFAOYSA-N

The toxicity data is as follows: