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4-Chlorobenzotrichloride
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Name

4-Chlorobenzotrichloride

 EINECS 226-009-1
CAS No. 5216-25-1 Density 1.505 g/cm3
PSA 0.00000 LogP 4.16670
Solubility decomposes in water Melting Point 5.8 °C
Formula C7H4Cl4 Boiling Point 245 °C at 760 mmHg
Molecular Weight 229.921 Flash Point 109.9 °C
Transport Information UN 1760 8/PG 2 Appearance Clear colorless liquid
Safety 53-45 Risk Codes 45-21/22-37/38-48/23-62
Molecular Structure Molecular Structure of 5216-25-1 (4-Chlorobenzotrichloride) Hazard Symbols ToxicT
Synonyms

Toluene, p,a,a,a-tetrachloro- (6CI,7CI,8CI);1-Chloro-4-(trichloromethyl)benzene;4,a,a,a-Tetrachlorotoluene;p,a,a,a-Tetrachlorotoluene;p-(Trichloromethyl)chlorobenzene;p-Chloro-a,a,a-trichlorotoluene;p-Chlorophenyltrichloromethane;a,a,a,4-Tetrachlorotoluene;a,a,a-Trichloro-4-chlorotoluene;

Article Data 26

4-Chlorobenzotrichloride Synthetic route

C7H4Cl6P(1+)*Cl(1-)

A

5216-25-1

4-chlorotrichloromethylbenzene

B

98555-85-2

(4-trichloromethylphenyl)phosphonic dichloride

Conditions
ConditionsYield
With sulfur dioxide for 1h;A n/a
B 87%
dichlorine monoxide

dichlorine monoxide

106-43-4

para-chlorotoluene

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
In tetrachloromethane83.9%
99-96-7

4-hydroxy-benzoic acid

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
With P,P-dichlorophenylphosphine oxide; phosphorus pentachloride at 160℃; for 5h;64.9%
With phosphorus pentachloride
120-47-8

Ethyl 4-hydroxybenzoate

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
With P,P-dichlorophenylphosphine oxide; phosphorus pentachloride at 160℃; for 5h;54.6%
106-43-4

para-chlorotoluene

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
With phosphorus pentachloride at 108 - 112℃;
100-44-7

benzyl chloride

A

5216-25-1

4-chlorotrichloromethylbenzene

B

855753-65-0

1,2,3,4,5,6-hexachloro-1-dichloromethyl-cyclohexane

C

98-07-7

Benzotrichlorid

Conditions
ConditionsYield
Chlorierung im Sonnenlicht;
98-07-7

Benzotrichlorid

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
With iodine durch Chlorieren;
98-59-9

p-toluenesulfonyl chloride

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
With chlorine at 150 - 200℃;
13940-94-8

(4-chlorophenyl)dichloromethane

5216-25-1

4-chlorotrichloromethylbenzene

Conditions
ConditionsYield
With hypochlorous anhydride In tetrachloromethane at 25℃; Rate constant;
7647-18-9

antimonypentachloride

98-07-7

Benzotrichlorid

A

5216-25-1

4-chlorotrichloromethylbenzene

B

2136-81-4

3-chlorobenzotrichloride

C

2136-89-2

2-chlorobenzotrichloride

D

dichloro-trichloromethyl-benzene

dichloro-trichloromethyl-benzene

Conditions
ConditionsYield
at 0 - 50℃; Einleiten von Chlor;
...Expand

4-Chlorobenzotrichloride Chemical Properties

The Molecular formula of p-TRICHLOROMETHYLCHLOROBENZENE(5216-25-1):C7H4Cl4   
The Molecular Weight of p-TRICHLOROMETHYLCHLOROBENZENE(5216-25-1):229.92
The Molecular Structure of p-TRICHLOROMETHYLCHLOROBENZENE(5216-25-1) is:
Density:1.505 g/cm3
Melting point:5.8 °C  
Boiling point:245 °C at 760 mmHg 
Flash point:109.9 °C
Solubility in water:decomposes
Sensitive:Moisture Sensitive
Index of Refraction:1.571
Molar Refractivity:50.18 cm3 
Molar Volume:152.7 cm3
Polarizability:19.89 10-24cm3
Surface Tension:41.3 dyne/cm  
Enthalpy of Vaporization:46.25 kJ/mol
Vapour Pressure:0.046 mmHg at 25°C      
Appearance:clear colorless liquid.
IUPAC name:1-chloro-4-(trichloromethyl)benzene
Synonyms:4-CHLOROBENZOTRICHLORIDE;A,A,A,P-TETRACHLOROTOLUENE;1-chloro-4-(trichloromethyl)-benzen;ALPHA,ALPHA,ALPHA,4-TETRACHLOROTOLUENE;P-CHLORO-A,A,A-TRICHLOROTOLUENE;P-CHLOROBENZOTRICHLORIDE;PCTC;P-CHLORO(TRICHLOROMETHYL)BENZENE
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

4-Chlorobenzotrichloride Uses

It's used as a pharmaceutical intermediate,and Right chlorobenzotrichloride is the intermediates of trifluralin herbicide, oxyfluorfen, acifluorfen, fomesafen, fluoroglycofen ether, lactofen.

4-Chlorobenzotrichloride Toxicity Data With Reference

1.   

orl-rat LD50:820 mg/kg

   EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0281-0360 .
2.   

ihl-rat LC50:125 mg/m3

   GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (6)(1984),41.
3.   

orl-mus LD50:700 mg/kg

   GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (6)(1984),41.
4.   

ihl-mus LC50:125 mg/m3

   GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (6)(1984),41.
5.   

skn-rbt LD50:>2 g/kg

   EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0281-0360 .

4-Chlorobenzotrichloride Consensus Reports

Reported in EPA TSCA Inventory.

4-Chlorobenzotrichloride Safety Profile

Suspected carcinogen. A poison by inhalation. Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of Cl−.
Health Hazard ACUTE/CHRONIC HAZARDS: Corrosive; Lachrymator.
Hazard Codes:T
Risk Statements
R45:May cause cancer.
R21/22:Harmful in contact with skin and if swallowed .
R37/38:Irritating to respiratory system and skin .
R48/23:Toxic: danger of serious damage to health by prolonged exposure through inhalation .
R62:Possible risk of impaired fertility.
Safety Statements
S53:Avoid exposure - obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR:UN 1760 8/PG 2
WGK Germany:3
RTECS:XT8580000
HazardClass:8
PackingGroup:II    

4-Chlorobenzotrichloride Standards and Recommendations

DFG MAK: Animal Carcinogen, Suspected Human Carcinogen

4-Chlorobenzotrichloride Specification

Reactivity Profile: Simple aromatic halogenated organic compounds, such as 4-Chlorobenzotrichloride , are very unreactive. Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Conditions to Avoid: Incompatible materials, exposure to moist air or water.
Chemical Stability: Moisture sensitive. 
Incompatibilities with Other Materials: Strong oxidizing agents. 
Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. 
Hazardous Polymerization: Has not been reported. 

 

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