ChemicalBook--->CAS DataBase List--->5216-25-1

5216-25-1

5216-25-1 Structure

5216-25-1 Structure
IdentificationMore
[Name]

4-Chlorobenzotrichloride
[CAS]

5216-25-1
[Synonyms]

4-CHLOROBENZOTRICHLORIDE
A,A,A,P-TETRACHLOROTOLUENE
ALPHA,ALPHA,ALPHA,4-TETRACHLOROTOLUENE
P-CHLORO-A,A,A-TRICHLOROTOLUENE
P-CHLOROBENZOTRICHLORIDE
P-CHLORO(TRICHLOROMETHYL)BENZENE
PCTC
1-chloro-4-(trichloromethyl)-benzen
1-Chloro-4-(trichloromethyl)benzene
1-chloro-4-trichloromethyl-benzene
4,alpha,alpha,alpha-Tetrachlorotoluene
alpha,alpha,alpha,para-tetrachlorotoluene
alpha,alpha,alpha,p-tetrachloro-toluen
Benzene,1-chloro-4-(trichloromethyl)-
p,alpha,alpha,alpha-Tetrachlorotoluene
p-Chlorophenyltrichloromethane
p-Chlorotrichlorotoluene
p-Trichloromethylchlorobenzene
Toluene, alpha,alpha,alpha,p-tetrachloro-
Toluene, p,alpha,alpha,alpha-tetrachloro-
[EINECS(EC#)]

226-009-1
[Molecular Formula]

C7H4Cl4
[MDL Number]

MFCD00000790
[Molecular Weight]

229.92
[MOL File]

5216-25-1.mol
Chemical PropertiesBack Directory
[Appearance]

liquid
[Melting point ]

5.8 °C
[Boiling point ]

245 °C(lit.)
[density ]

1.495 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.572(lit.)
[Fp ]

>230 °F
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Chloroform (Sparingly), DMSO (Sparingly)
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

decomposes
[Sensitive ]

Moisture Sensitive
[BRN ]

1866549
[Henry's Law Constant]

5.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[Uses]

Same as o-chlorobenzotrichloride.
[CAS DataBase Reference]

5216-25-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-chloro-4-(trichloromethyl)-(5216-25-1)
[EPA Substance Registry System]

5216-25-1(EPA Substance)
Safety DataBack Directory
[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
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29039990
[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-.
[Toxicity]

LD50 orl-rat: 820 mg/kg EPASR* 8EHQ-0281-0360
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Chlorotoluene-->3-Chloro benzotrichloride-->ANTIMONY(V) CHLORIDE-->Benzotrichloride-->2-Chlorobenzotrichloride
[Preparation Products]

Fomesafen-->4-Chlorobenzotrifluoride-->4-Chloro-3-nitrobenzoic acid-->4-Chloro-3-nitrobenzotrifluoride
Hazard InformationBack Directory
[General Description]

Clear colorless liquid.
[Reactivity Profile]

Simple aromatic halogenated organic compounds, such as ALPHA, ALPHA, ALPHA, PARA-TETRACHLOROTOLUENE(5216-25-1), 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.
[Air & Water Reactions]

Insoluble in water.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: Corrosive; Lachrymator.
[Potential Exposure]

Used in agrochemicals manufacture as an intermediate; reaction with HF yields chlorobenzotrifluoride as a major intermediate for several pesticides; for making pharmaceuticals; UV absorbers, and dyestuffs. This chemical is manufactured in high volume (exceeds 1 million pounds per annum) in the United States.
[Fire Hazard]

Flash point data for this compound are not available, however, ALPHA, ALPHA, ALPHA, PARA-TETRACHLOROTOLUENE is probably combustible.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact,avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy
[Shipping]

UN1760 Corrosive liquids, n.o.s., Hazard class: 8; Labels: 8-Corrosive material, Technical Name Required.
[Incompatibilities]

A halogenated aromatic compound. Hydrolyzes to hydrochloric acid and benzoic acid in all forms of moisture. Incompatible with strong oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from reducing agents, alkaline materials, strong acids, strong bases, amines, nitrides, azo/ diazo compounds, alkali metals, and epoxides.
[Description]

p-Chlorobenzotrichloride, an organochloride,is a flammable, water-white liquid. Molecularweight=229.92; Specific gravity (H2O:1)=1.49; Boilingpoint=254℃; Melting/Freezing point=5-6℃; Flashpoint=.110℃; Autoignition temperature=500-505℃.Hazard Identification (based on NFPA 704 M RatingSystem): Health 3, Flammability 1, Reactivity 0.Decomposes in water.
[Chemical Properties]

p-Chlorobenzotrichloride, an organochloride, is a flammable, water-white liquid.
[Flammability and Explosibility]

Notclassified
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Store in tightly closed containers in a refrigerator. Color Code—Red: FlammabilityHazard: Store in a flammable liquid storage area orapproved cabinet away from ignition sources and corrosiveand reactive materials. Prior to working with this chemicalyou should be trained on its proper handling and storage. Aregulated, marked area should be established where thischemical is handled, used, or stored in compliance withOSHA Standard 1910.1045.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorobenzotrichloride(5216-25-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorobenzotrichloride(5216-25-1)MS
4-Chlorobenzotrichloride(5216-25-1)1HNMR
4-Chlorobenzotrichloride(5216-25-1)13CNMR
4-Chlorobenzotrichloride(5216-25-1)IR1
4-Chlorobenzotrichloride(5216-25-1)IR2
4-Chlorobenzotrichloride(5216-25-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzotrichloride, 99%(5216-25-1)
[Alfa Aesar]

4-Chlorobenzotrichloride, 98+%(5216-25-1)
[Sigma Aldrich]

5216-25-1(sigmaaldrich)
[TCI AMERICA]

4-Chlorobenzotrichloride,>98.0%(GC)(5216-25-1)
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