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Chlorobenzene

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Name

Chlorobenzene

EINECS 203-628-5
CAS No. 108-90-7 Density 1.1075 g/cm3
Solubility water: 0.4 g/L (20 °C) Melting Point -45 °C
Formula C6H5Cl Boiling Point 131 °C
Molecular Weight 112.56 Flash Point 29 °C
Transport Information UN 1134 3/PG 3 Appearance colourless liquid
Safety 24/25-61-36/37-45 Risk Codes 10-20-51/53-40-39/23/24/25-23/24/25-11
Molecular Structure Molecular Structure of 108-90-7 (Benzene,chloro-) Hazard Symbols HarmfulXn,DangerousN,ToxicT,FlammableF
Synonyms

Monochlorobenzene;NSC 8433;Phenylchloride;Tetrosin SP;CP27;IP Carrier T 40;MCB;Benzenyl chloride;

 

Chlorobenzene Consensus Reports

NTP Carcinogenesis Studies (gavage); Some Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-261 ,1985. ; No Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-261 ,1985. . Reported in EPA TSCA Inventory. Community Right-To-Know List.

Chlorobenzene Standards and Recommendations

OSHA PEL: TWA 75 ppm
ACGIH TLV: TWA 10 ppm; Animal Carcinogen; BEI: 150 mg/g creatinine of total 4-chlorocatechol in urine at end of shift; 25 mg/g creatinine of total p-chloropohenol in urine at end of shift
DFG MAK: 10 ppm (47 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Chlorobenzene Analytical Methods

For occupational chemical analysis use NIOSH: Hydrocarbons, Halogenated, 1003.

Chlorobenzene Specification

The Chloro benzene with CAS registry number of 108-90-7 is also known as Benzene,chloro-. The IUPAC name and product name are the same. It belongs to product categories of Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Anhydrous Grade SolventsSolvents; Solvent Bottles; Solvents; Sure/Seal? Bottles; Aryl; C6; Halogenated Hydrocarbons; Amber Glass Bottles; Carbon Steel Cans with NPT Threads; ReagentPlus(R) Solvent Grade Products; ReagentPlus(R)Semi-Bulk Solvents; ReagentPlus(R)Solvents; Alphabetic; Alpha Sort; C; CAlphabetic; CH; Volatiles/ Semivolatiles; ACS Grade SolventsAnalytical Reagents for General Use; C-D, Puriss p.a. ACS; Puriss p.a. ACS; CHROMASOLV for HPLCSolvents; CHROMASOLV Solvents (HPLC, LC-MS); CHROMASOLV(R) HPLC Grade Solvents; Analytical Standards; AromaticsAlphabetic; CHChemical Class; Chemical Class; Chloro; Halogenated; ACS Grade Solvents; ACS GradeSemi-Bulk Solvents. Its EINECS registry number is 203-628-5. In addition, the formula is C6H5Cl and the molecular weight is 112.56. This chemical is a colourless liquid and should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about Chloro benzene are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.843; (4)ACD/LogD (pH 7.4): 2.843; (5)ACD/BCF (pH 5.5): 85.291; (6)ACD/BCF (pH 7.4): 85.291; (7)ACD/KOC (pH 5.5): 838.978; (8)ACD/KOC (pH 7.4): 838.978; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 31.148 cm3; (11)Molar Volume: 101.384 cm3; (12)Surface Tension: 33.081 dyne/cm; (13)Density: 1.11 g/cm3; (14)Flash Point: 23.889 °C; (15)Enthalpy of Vaporization: 35.19 kJ/mol; (16)Boiling Point: 131.719 °C at 760 mmHg; (17)Vapour Pressure: 11.234 mmHg at 25 °C.

Preparation of Chloro benzene: add dry benzene into chlorination reactor. Then add 1% iron as catalyst and add gaseous chlorine to maintain the reaction temperature at 40~60 °C. After the chlorination reaction, add 10% NaOH to the chloride material. At last, product is obtained by dry and distillation.

Uses of Chloro benzene: it is used as intermediate of dye, medicine, pesticide and organic synthesis. It's also used to produce solvent, rubber chemical, paint, quick-drying ink, dry cleaning and so on. Besides, this chemical is used in test of electronic industrial products and raw materials.

When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable and has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves. What's more, avoid contact with skin and eyes and avoid release to the environment. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)Cl
2. InChI: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
3. InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD skin > 11gm/kg (11000mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 271, 1991.
guinea pig LD50 oral 2250mg/kg (2250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 34, 1982.
guinea pig LDLo intraperitoneal 4100mg/kg (4100mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LIVER: FATTY LIVER DEGERATION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.
mammal (species unspecified) LC50 inhalation 10gm/m3 (10000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 2300mg/kg (2300mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 unreported 2300mg/kg (2300mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LCLo inhalation 15gm/m3 (15000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 20(8), Pg. 19, 1955.
mouse LD50 intraperitoneal 515mg/kg (515mg/kg)   Pharmacologist. Vol. 10, Pg. 172, 1968.
mouse LD50 oral 2300mg/kg (2300mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 34, 1982.
rabbit LD skin > 2200mg/kg (2200mg/kg)   National Technical Information Service. Vol. AD-A180-198,
rabbit LD50 oral 2250mg/kg (2250mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2B, Pg. 3603, 1981.
rat LC50 inhalation 2965ppm (2965ppm)   National Technical Information Service. Vol. OTS0521601,
rat LD50 intraperitoneal 1655mg/kg (1655mg/kg)   Fundamental and Applied Toxicology. Vol. 5, Pg. 105, 1985.
rat LD50 oral 1110mg/kg (1110mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.

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