4-Chlorobenzotrichloride supplier

Name
4-Chlorobenzotrichloride
EINECS 226-009-1
CAS No. 5216-25-1
Article Data26
CAS DataBase
Density 1.505 g/cm³
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
Hazard Symbols T
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;
PSA 0.00000
LogP 4.16670

Synthetic route

: C7H4Cl6P(1+)*Cl(1-)

A: 5216-25-1
4-chlorotrichloromethylbenzene

B: 98555-85-2
(4-trichloromethylphenyl)phosphonic dichloride

Conditions

Conditions	Yield
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

Conditions	Yield
In tetrachloromethane	83.9%

: 99-96-7
4-hydroxy-benzoic acid

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
With P,P-dichlorophenylphosphine oxide; phosphorus pentachloride at 160℃; for 5h;	54.6%

: 106-43-4
para-chlorotoluene

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
Chlorierung im Sonnenlicht;

...Expand

: 98-07-7
Benzotrichlorid

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
With iodine durch Chlorieren;

: 98-59-9
p-toluenesulfonyl chloride

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
With chlorine at 150 - 200℃;

: 13940-94-8
(4-chlorophenyl)dichloromethane

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
at 0 - 50℃; Einleiten von Chlor;

...Expand

: 7553-56-2
iodine

: 98-07-7
Benzotrichlorid

A: 5216-25-1
4-chlorotrichloromethylbenzene

B: 2136-81-4
3-chlorobenzotrichloride

C: 20020-72-8
2,3,4-trichloro-1-(trichloromethyl)benzene

D dichloro-trichloromethyl-benzene: dichloro-trichloromethyl-benzene

Conditions

Conditions	Yield
at 25 - 30℃; Einleiten von Chlor;

...Expand

p-oxy-benzide: p-oxy-benzide

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
With phosphorus pentachloride at 290 - 300℃;

: 1005-32-9
p-tolyldichlorophosphine

: 5216-25-1
4-chlorotrichloromethylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cl2 / CCl4 / 8 h / Heating; Irradiation 2: SO2 / 1 h View Scheme

: 5216-25-1
4-chlorotrichloromethylbenzene

: 108-90-7
chlorobenzene

: 74-11-3
para-chlorobenzoic acid

: 90-98-2
4,4'-Dichlorobenzophenone

Conditions

Conditions	Yield
With iron(III) oxide at 145℃; under 4500.45 Torr; for 7h;	95.7%

...Expand

: 1121-24-0
ortho-mercaptophenol

: 5216-25-1
4-chlorotrichloromethylbenzene

: 58948-38-2
2-(4-Chlorophenyl)-1,3-benzoxathiolium tetrafluoroborate

Conditions

Conditions	Yield
With tetrafluoroboric acid diethyl ether for 2h; Ambient temperature;	95%

: 117-21-5
3-chlorophthalic anhydride

: 5216-25-1
4-chlorotrichloromethylbenzene

A: 113770-84-6
3-chloro-phthaloyl dichloride

B: 122-01-0
4-chloro-benzoyl chloride

Conditions

Conditions	Yield
zirconium(IV) chloride at 160℃; for 16h;	A 61% B 95%

...Expand

: 5216-25-1
4-chlorotrichloromethylbenzene

: 74-11-3
para-chlorobenzoic acid

: 71-43-2
benzene

: 134-85-0
4-chlorobenzophenone

Conditions

Conditions	Yield
With iron(III) oxide at 120℃; under 1500.15 Torr; for 8h;	94.1%

...Expand

: 5216-25-1
4-chlorotrichloromethylbenzene

: 121-44-8
triethylamine

: 7461-38-3
4-chloro-N,N-diethyl-benzamide

Conditions

Conditions	Yield
With B12 complex immobilized on rhodium(III) modified anatase TiO2; air In acetonitrile at 20℃; for 3h; Irradiation;	94%
With heptamethyl Coβ-perchlorato-cob(II)yrinate; tetrabutylammonium perchlorate In acetonitrile at 20℃; for 3h; Electrolysis;	89%

: 85-44-9
phthalic anhydride

: 5216-25-1
4-chlorotrichloromethylbenzene

A: 122-01-0
4-chloro-benzoyl chloride

B: 88-95-9
Phthaloyl dichloride

Conditions

Conditions	Yield
zirconium(IV) chloride at 160℃; for 6h;	A 93% B 70%

...Expand

: 67-56-1
methanol

: 5216-25-1
4-chlorotrichloromethylbenzene

: 1126-46-1
Methyl 4-chlorobenzoate

Conditions

Conditions	Yield
at 20℃; for 3h; UV-irradiation;	93%

: 5216-25-1
4-chlorotrichloromethylbenzene

: C13H11NO3S

: O-(4-hydroxyphenyl) (4-(4-(trichloromethyl)phenoxy)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium carbonate In toluene for 12h; Reflux;	92.3%

: 5216-25-1
4-chlorotrichloromethylbenzene

: C15H14N2O3S

: O-(4-acetamidophenyl) (4-(4-(trichloromethyl)phenoxy)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium carbonate In toluene for 12h; Reflux;	92.3%

: 5216-25-1
4-chlorotrichloromethylbenzene

: C13H12N2O2S

: O-(4-hydroxyphenyl) (4-((4-(trichloromethyl)phenyl)amino)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium carbonate In toluene for 12h; Reflux;	91.3%

: 5216-25-1
4-chlorotrichloromethylbenzene

: C15H15N3O2S

: O-(4-acetamidophenyl) (4-((4-(trichloromethyl)phenyl)amino)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium carbonate In toluene for 12h; Reflux;	91.3%

: 623-03-0
4-Cyanochlorobenzene

: 5216-25-1
4-chlorotrichloromethylbenzene

: 1,3-dichloro-1,3-bis(4-chlorophenyl)-2-azoniaallene hexachloroantimonate

Conditions

Conditions	Yield
With antimonypentachloride In dichloromethane -30 deg C 15 min, reflux 30 min;	88%

: 5216-25-1
4-chlorotrichloromethylbenzene

: C13H11NO2S2

: O-(4-hydroxyphenyl) (4-((4-(trichloromethyl)phenyl)thio)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium carbonate In toluene for 12h; Reflux;	84.1%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 2491-90-9
2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 0.666667h; Heating;	81%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 7439-89-6
iron

: 454-78-4
3-bromo-4-chlorobenzotrifluoride

Conditions

Conditions	Yield
With hydrogen fluoride; bromine	81%

: 5216-25-1
4-chlorotrichloromethylbenzene

: C15H14N2O2S2

: O-(4-acetamidophenyl) (4-((4-(trichloromethyl)phenyl)thio)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium carbonate In toluene for 12h; Reflux;	80.1%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 4137-78-4
4,α,α,4',α',α'-hexachloro-bibenzyl

Conditions

Conditions	Yield
With iron(II) chloride In acetonitrile at 25℃; for 7h;	80%
With copper(l) chloride; triethyl phosphite

: 91-16-7
1,2-dimethoxybenzene

: 5216-25-1
4-chlorotrichloromethylbenzene

: 79-34-5
1,1,2,2-tetrachloroethane

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
graphite In water	79.5%

...Expand

: 5216-25-1
4-chlorotrichloromethylbenzene

: 756-79-6
dimethyl methane phosphonate

A: 1126-46-1
Methyl 4-chlorobenzoate

B: 74-87-3
methylene chloride

C: methylphosphonic acid anhydride

Conditions

Conditions	Yield
at 180℃; for 53h;	A 79% B n/a C n/a

...Expand

: 5216-25-1
4-chlorotrichloromethylbenzene

: 95-55-6
2-amino-phenol

: 1141-35-1
2-(4-chlorophenyl)benzoxazole

Conditions

Conditions	Yield
With Sodium borate In water at 100℃; for 10h;	78%
With PPA at 100 - 120℃; for 12h; Addition;	60%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 12775-96-1, 15158-11-9, 15721-63-8, 16941-75-6, 17493-86-6, 19498-52-3, 20499-83-6, 20499-84-7, 20499-85-8, 20499-86-9, 20573-10-8, 20573-11-9, 21595-51-7, 21595-52-8, 22206-52-6, 26445-28-3, 28959-95-7, 37362-93-9, 39417-05-5, 54603-16-6, 54603-23-5, 54603-32-6, 54603-40-6, 54603-48-4, 54603-81-5, 54603-89-3, 56316-56-4, 95985-91-4, 122297-32-9, 7440-50-8
copper

: 4137-78-4
4,α,α,4',α',α'-hexachloro-bibenzyl

Conditions

Conditions	Yield
With pyridine; hydrogenchloride In (2S)-N-methyl-1-phenylpropan-2-amine hydrate	75%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 1795-48-8
Isopropyl isocyanate

: 3,6-dichloro-2-isopropyl-1-oxoisoindolium hexachloroantimonate

Conditions

Conditions	Yield
With antimonypentachloride In dichloromethane 1.) -30 deg C, 10 min, 2.) 23 deg C, 4 h;	73%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 622-58-2
p-Tolylisocyanate

: 3-chloro-1-(4-chlorophenyl)-7-methylbenzo-2,4-oxazinium hexachloroantimonate

Conditions

Conditions	Yield
With antimonypentachloride In dichloromethane 1.) -30 deg C, 2.) 23 deg C, 3 h;	71%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 1076689-72-9
4-(5-amino-1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonyl chloride

: 1076689-67-2
4-[5-(4-trichloromethylphenylamino)-[1,3,4]thiadiazol-2-ylsulfanyl]-benzenesulfonylchloride

Conditions

Conditions	Yield
In diethyl ether at 0 - 5℃; for 0.5h;	71%

: [(Ir(η5-C5Me5))2(μ-CH2)2(μ-S2-S:S')]

: 5216-25-1
4-chlorotrichloromethylbenzene

: cis-[(Ir(C5(CH3)5)2(μ-CH2)2(μ-S2C-C6H4-Cl-p)]Cl

Conditions

Conditions	Yield
In methanol (N2); standard Schlenk technique; MeOH and soln. of ClC6H4CCl3 in methanol were added to Ir complex;	70%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 28144-70-9
anthranilic acid amide

: 7455-77-8
2-(4-chlorophenyl)-4(3H)-quinazolinone

Conditions

Conditions	Yield
With Sodium borate In water at 100℃; for 14h;	69%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 22706-11-2
3-phenyl-4-amino-5-mercapto-1,2,4-triazole

: 1149378-80-2
C15H11Cl3N4S

Conditions

Conditions	Yield
Stage #1: 3-phenyl-4-amino-5-mercapto-1,2,4-triazole With potassium hydroxide In water at 20℃; Stage #2: 4-chlorotrichloromethylbenzene In water at 0℃;	68%

: 5216-25-1
4-chlorotrichloromethylbenzene

: 4403-69-4
2-amino-1-benzylamine

: 2-(4-chloro-phenyl)-quinazoline

Conditions

Conditions	Yield
With oxygen; sodium hydroxide In water at 100℃; Sealed tube; Green chemistry;	68%

4-Chlorobenzotrichloride Chemical Properties

The Molecular formula of p-TRICHLOROMETHYLCHLOROBENZENE(5216-25-1):C₇H₄C_l4
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.

Product Name

4-Chlorobenzotrichloride

Synthetic route

4-Chlorobenzotrichloride Chemical Properties

4-Chlorobenzotrichloride Uses

4-Chlorobenzotrichloride Toxicity Data With Reference

4-Chlorobenzotrichloride Consensus Reports

4-Chlorobenzotrichloride Safety Profile

4-Chlorobenzotrichloride Standards and Recommendations

4-Chlorobenzotrichloride Specification

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