CAS No.106-46-7,1,4-Dichlorobenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	106-46-7
Name:	1,4-Dichlorobenzene
Article Data:	249
Cas Database

Formula:	C₆H₄Cl₂
Molecular Weight:	147.004
Synonyms:	1, 4-Dichlorobenzene;Paramoth;p-Dichloorbenzeen [Dutch];p-Diclorobenzene [Italian];p-Dichloorbenzeen;Dichlorobenzene, p-, solid;Benzene, p-dichloro-;1,4-Diclorobenzene [Italian];Paradichlorobenzol;Santochlor;RCRA waste no. D027;Paracide;1,4-Dichlor-benzol [German];RCRA waste no. U072;Globol;NCI-C54955;Di-chloricide;Para crystals;Paradow;RCRA waste number U070;p-Dichlorobenzol;1, 4-Dichloorbenzeen;Parazene;Persia-Perazol;benzene, 1,4-dichloro-;Benzene, 1, 4-dichloro-;Dichlorobenzene;4-Dichlorobenzene;p-Dichlorbenzol [German];RCRA waste number U071;PDCB;Paradi;Evola;p-Diclorobenzene;Paranuggets;1,4-Dichloorbenzeen [Dutch];p-Dichlorbenzol;1,4-Diclorobenzene;1,4-Dichlor-benzol;Paradichlorbenzol [German];
EINECS:	203-400-5
Density:	1.297 g/cm³
Melting Point:	52-54 °C(lit.)
Boiling Point:	174.1 °C at 760 mmHg
Flash Point:	60.7 °C
Solubility:	Insoluble in water
Appearance:	colourless or white crystal
Hazard Symbols:	Xn,N,T,F
Risk Codes:	36-40-50/53-39/23/24/25-23/24/25-11
Safety:	36/37-46-60-61-45-16-7
Transport Information:	UN 3077 9/PG 3
PSA:	0.00000
LogP:	2.99340

Synthetic route

: 637-87-6
1-Chloro-4-iodobenzene

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; hypochlorite In dichloromethane other iodoaromatics, intermediacy of iodyl compounds at short reaction times;	100%
With tetra(n-butyl)ammonium hydrogensulfate; hypochlorite In dichloromethane 23-28 h; Yield given;
Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid 2: copper(l) chloride / acetonitrile / 2 h / 80 °C View Scheme

: 95-94-3
1,2,4,5-tetrachlorobenzene

A: 106-46-7
para-dichlorobenzene

B: 95-50-1
1,2-dichloro-benzene

C: 541-73-1
1,3-Dichlorobenzene

D: 71-43-2
benzene

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen; palladium on activated charcoal In water at 50℃; for 0.92h; Yields of byproduct given;	A n/a B n/a C n/a D 98%

...Expand

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

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
palladium on activated charcoal In gas at 360℃;	98%

: 106-39-8
bromochlorobenzene

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
With trans-bis(glycinato)copper(II) monohydrate; tetramethlyammonium chloride In ethanol at 100℃; for 24h; Finkelstein Reaction; Schlenk technique; Inert atmosphere;	95%
With sodium hypochlorite; (tetraphenylporphyrinato)nickel(II); benzyl tri-n-butylammonium bromide In chloroform at 25℃; for 0.5h;	75%
With tetrachloromethane; chlorine Photolysis;
With tetrachloromethane at 250℃; for 21h; Inert atmosphere; Autoclave;	13 %Spectr.
With iron(III) chloride; sodium chloride In acetonitrile for 10h; Kinetics; Irradiation; Green chemistry; regioselective reaction;

: 98-60-2
4-chlorobenzenesulfonyl chloride

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile); hexamethylenetetramine at 54.9 - 64.9℃; for 2h; Thermodynamic data; Kinetics; Mechanism; activation energy;	95%
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile); hexamethylenetetramine at 54.9 - 64.9℃;	95%

: 120-82-1
1,2,4-Trichlorobenzene

A: 106-46-7
para-dichlorobenzene

B: 95-50-1
1,2-dichloro-benzene

C: 541-73-1
1,3-Dichlorobenzene

Conditions

Conditions	Yield
With radical anion of p,p'-di-tert-butylbiphenyl In tetrahydrofuran at -60℃; Product distribution; Rate constant; Mechanism; Irradiation; radical anion of naphthalene, different temperatures;	A 87.2% B 2.79% C 9.96%
With radical anion of p,p'-di-tert-butylbiphenyl In tetrahydrofuran at -70℃; Irradiation;	A 87.7% B 2.97% C 9.32%
With radical anion of p,p'-di-tert-butylbiphenyl In tetrahydrofuran at 45℃; Irradiation;	A 75.3% B 9.89% C 13.7%

...Expand

: potassium (4-chlorophenyl)trifluoroborate

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
With trichloroisocyanuric acid In water; ethyl acetate at 20℃; for 1h; Open flask;	86%

: 1204518-00-2
(4-chlorophenyl)(mesityl)iodonium trifluoromethanesulfonate

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
With copper(l) chloride In acetonitrile at 80℃; for 2h;	83%

: 71-43-2
benzene

A: 106-46-7
para-dichlorobenzene

B: 108-90-7
chlorobenzene

C: 95-50-1
1,2-dichloro-benzene

Conditions

Conditions	Yield
With iron sulfide; antimony(III) sulfide; chlorine at 35 - 55℃; under 760.051 Torr; Reagent/catalyst; Temperature;	A 7.2% B 80.7% C 3.1%
With hydrogenchloride; sodium peroxide In acetic acid at 78 - 80℃; for 3h;	A 12% B 79% C 6%
With chlorine at 40 - 60℃; under 760.051 Torr; for 1.75h; Reagent/catalyst; Temperature;	A 72.4% B 5.1% C 22%

...Expand

: 106-47-8
4-chloro-aniline

: 106-46-7
para-dichlorobenzene

Conditions

Conditions	Yield
With N-chloro-succinimide; sodium nitrite In N,N-dimethyl-formamide at 20℃; for 6h;	80%
With tetrachloromethane; tert-Butyl thionitrate for 1h; Heating;	40%
With tert.-butylnitrite; N-benzyl-N,N,N-triethylammonium chloride; copper dichloride; 10-camphorsulfonic acid In neat (no solvent) Time; Solvent;	10%

Raw Materials

95-82-9

10025-91-9

7446-70-0

75-05-8

5181-10-2

108-86-1

100-01-6

Downstream Products

88-16-4

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Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 192.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1974),p. 231.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 (1982),p. 213.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1974),p. 231.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 75 ppm; STEL 110 ppm
ACGIH TLV: TWA 10 ppm, Confirmed Animal Carcinogen.
DFG MAK: 50 ppm (300 mg/m³)
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
NIOSH REL: (p-Dichlorobenzene): (1.7 ppm LOQ)

Analytical Methods

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

Specification

The 1,4-Dichlorobenzene is an organic compound with the formula C₆H₄Cl₂. The IUPAC name of this chemical is 1,4-dichlorobenzene. With the CAS registry number 106-46-7, it is also named as Di-chloricide. The product's categories are Intermediates of Dyes and Pigments; Inorganic & Organic Chemicals; Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Alpha Sort; D; DAlphabetic; DIA - DICPesticides; Fumigants; Insecticides; Volatiles/ Semivolatiles; Pesticides & Metabolites; Aryl; C6; Halogenated Hydrocarbons; Alphabetic; DIA - DIC. Besides, it is a colourless or white crystal, which should be stored in a cool and well-ventilated place. It is used to control moths, moulds and mildew. It is used as a disinfectant in waste containers and restrooms and is the characteristic smell associated with urinal cakes.

Physical properties about 1,4-Dichlorobenzene are:
(1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 201.98; (5)ACD/BCF (pH 7.4): 201.98; (6)ACD/KOC (pH 5.5): 1555.05; (7)ACD/KOC (pH 7.4): 1555.05; (8)Index of Refraction: 1.548; (9)Molar Refractivity: 36.04 cm³; (10)Molar Volume: 113.3 cm³; (11)Polarizability: 14.28×10^-24cm³; (12)Surface Tension: 36.7 dyne/cm; (13)Density: 1.297 g/cm³; (14)Flash Point: 60.7 °C; (15)Enthalpy of Vaporization: 39.36 kJ/mol; (16)Boiling Point: 174.1 °C at 760 mmHg; (17)Vapour Pressure: 1.64 mmHg at 25°C.

Preparation of 1,4-Dichlorobenzene:
this chemical is produced by chlorination of benzene using ferric chloride as a catalyst:
C₆H₆ + 2 Cl₂ → C₆H₄Cl₂ + 2 HCl

Uses of p-Dichlorobenzene:
it can be used to produce 1,2,4,5-tetrabromo-3,6-dichloro-benzene. It will need reagent iron and bromine.

Safety informationg of 1,4-Dichlorobenzene:
When you are using this chemical, please be cautious about it as the following:It is highly flammable and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If swallowed, seek medical advice immediately and show this container or label. Please keep container tightly closed and keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1Cl)Cl
(2)InChI: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
(3)InChIKey: OCJBOOLMMGQPQU-UHFFFAOYSA-N

The toxicity data of 1,4-Dichlorobenzene is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LCLo	inhalation	37gm/m³/30M (37000mg/m³)	BEHAVIORAL: GENERAL ANESTHETIC	Yakkyoku. Pharmacy. Vol. 38, Pg. 1045, 1987.
guinea pig	LDLo	oral	2800mg/kg (2800mg/kg)		AMA Archives of Industrial Health. Vol. 14, Pg. 138, 1956.
human	LDLo	oral	857mg/kg (857mg/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 210, 1969.
human	LDLo	unreported	357mg/kg (357mg/kg)		Yakkyoku. Pharmacy. Vol. 31, Pg. 1499, 1980.
human	TDLo	oral	300mg/kg (300mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 851, 1966.
mammal (species unspecified)	LC50	inhalation	12gm/m³ (12000mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified)	LD50	oral	2600mg/kg (2600mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
man	LDLo	unreported	221mg/kg (221mg/kg)		"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse	LD50	intraperitoneal	2gm/kg (2000mg/kg)		Mutagenesis. Vol. 2, Pg. 111, 1987.
mouse	LD50	oral	2950mg/kg (2950mg/kg)		Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 183, 1973.
mouse	LD50	subcutaneous	5145mg/kg (5145mg/kg)	BEHAVIORAL: TREMOR	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 20, Pg. 772, 1973.
rabbit	LD50	oral	2830mg/kg (2830mg/kg)		Yakkyoku. Pharmacy. Vol. 29, Pg. 453, 1978.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 18, 1978.
rat	LD50	intraperitoneal	2562mg/kg (2562mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 124, 1949.
rat	LD50	oral	500mg/kg (500mg/kg)		World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat	LD50	skin	> 6gm/kg (6000mg/kg)		Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986.