Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-Chloro-4-methylaniline

Related Products

Hot Products

Name

3-Chloro-4-methylaniline

EINECS 202-446-3
CAS No. 95-74-9 Density 1.18 g/cm3
PSA 26.02000 LogP 2.81180
Solubility 1 g/L (20 °C) in water Melting Point 25 °C
Formula C7H8ClN Boiling Point 243.1 °C at 760 mmHg
Molecular Weight 141.6 Flash Point 100.8 °C
Transport Information UN 2239 6.1/PG 3 Appearance yellow to brown liquid
Safety 36/37/39-45-61-60-36/37-26 Risk Codes 24/25-36/38-43-50/53-36/37/38-22
Molecular Structure Molecular Structure of 95-74-9 (3-Chloro-4-methylaniline) Hazard Symbols ToxicT,DangerousN,HarmfulXn
Synonyms

p-Toluidine,3-chloro- (8CI);1-Amino-3-chloro-4-methylbenzene;3-Chloro-4-methylbenzenamine;4-Amino-2-chlorotoluene;4-Methyl-3-chloroaniline;Benzenamine,3-chloro-4-methyl-;

Article Data 35

3-Chloro-4-methylaniline Consensus Reports

Reported in EPA TSCA Inventory. NCI Carcinogenogenesis Bioassay (Feed); Results Negative: Mouse, Rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-145 ,1978.

3-Chloro-4-methylaniline Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

3-Chloro-4-methylaniline Specification

The IUPAC name of 3-Chloro-p-toluidine is 3-chloro-4-methylaniline. With the CAS registry number 95-74-9, it is also named as 1-Amino-3-chloro-4-methylbenzene; Benzenamine, 3-chloro-4-methyl-. This chemical is brown solid with a mild odor. It may be sensitive to prolonged exposure to air and light. And it also is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and reducing agents. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 30.59; (6)ACD/BCF (pH 7.4): 31.49; (7)ACD/KOC (pH 5.5): 399.38; (8)ACD/KOC (pH 7.4): 411.07; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 40.2 cm3; (14)Molar Volume: 119.9 cm3; (15)Polarizability: 15.94×10-24 cm3; (16)Surface Tension: 42.7 dyne/cm; (17)Enthalpy of Vaporization: 48.01 kJ/mol; (18)Vapour Pressure: 0.0327 mmHg at 25°C; (19)Exact Mass: 141.034527; (20)MonoIsotopic Mass: 141.034527; (21)Topological Polar Surface Area: 26; (22)Heavy Atom Count: 9.

The 3-Chloro-p-toluidine is used in the manufacture of organic pigment intermediates, organic synthesis intermediates, herbicides and pharmaceutical intermediates, etc. For example: It can heat with ethoxymethylene-malonic acid diethyl ester to get (3-chloro-4-methyl-anilinomethylene)-malonic acid diethyl ester. The reaction time is 1 hours. The yield is 95%.

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. And it is irritating to eyes, respiratory system and skin. In addition, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste. 

People can use the following data to convert to the molecule structure.
1.SMILES: Clc1cc(N)ccc1C; 
2.InChI: InChI=1/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3;
3.InChIKey: RQKFYFNZSHWXAW-UHFFFAOYAO.

The following is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 2400ug/kg (2.4mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 oral 316mg/kg (316mg/kg)   Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,
pigeon LD50 oral 13mg/kg (13mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
quail LD50 oral 1mg/kg (1mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat LD50 intraperitoneal 325mg/kg (325mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Toxicology and Applied Pharmacology. Vol. 18, Pg. 517, 1971.
 
rat LD50 intravenous 48mg/kg (48mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 18, Pg. 517, 1971.
 
rat LD50 oral 1500mg/kg (1500mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 95-74-9