CAS No.542-75-6,1,3-Dichloropropene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	542-75-6
Name:	1,3-Dichloropropene
Article Data:	30

Formula:	C₃H₄Cl₂
Molecular Weight:	110.971
Synonyms:	Propene,1,3-dichloro- (8CI);1,3-D;1,3-Dichloro-1-propene;1,3-Dichloro-2-propene;1,3-Dichloropropylene;3-Chloroallyl chloride;3-Chloropropenyl chloride;D-D 92;DD 95;Dorlane II;NSC 6202;Telone;Telone92;Telone II;Telone II-B;a,g-Dichloropropylene;g-Chloroallyl chloride;
EINECS:	208-826-5
Density:	1.175 g/cm³
Melting Point:	-60 °C
Boiling Point:	108.4 °C at 760 mmHg
Flash Point:	27.8 °C
Solubility:	water: <0.01 g/100 mL at 16.5 °C
Appearance:	clear yellowish to brownish liquid
Hazard Symbols:	T,N
Risk Codes:	10-20/21-25-36/37/38-43-50/53
Safety:	36/37-45-60-61
Transport Information:	UN 1992 3/PG 3
PSA:	0.00000
LogP:	1.97770

Synthetic route

: 187737-37-7
propene

A: 557-98-2
2-chloropropene

B: 26198-63-0, 78-87-5
1,2-Dichloropropane

C: 542-75-6
E/Z-1,3-Dichloropropene

D: 75-29-6
isopropyl chloride

E: 590-21-6
propenyl chloride

F: 107-05-1
3-chloroprop-1-ene

Conditions

Conditions	Yield
With aluminum oxide; copper dichloride; dibenzoyl peroxide at 489.9℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide);	A 0.7% B 3.3% C 0.8% D 1.8% E 0.9% F 91.4%

...Expand

: 96-23-1
1,3-Dichloro-2-propanol

: 542-75-6
E/Z-1,3-Dichloropropene

Conditions

Conditions	Yield
With phosphorus pentoxide
With phosphorus pentaoxide
With trichlorophosphate
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere;
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere;

: 96-18-4
1,2,3-trichloropropane

A: 78-88-6
2,3-Dichloroprop-1-ene

B: 542-75-6
E/Z-1,3-Dichloropropene

: 563-57-5
3,3-dichloropropene

: 542-75-6
E/Z-1,3-Dichloropropene

Conditions

Conditions	Yield
With hydrogenchloride at 100℃;

: 187737-37-7
propene

: 107-05-1
3-chloroprop-1-ene

: 542-75-6
E/Z-1,3-Dichloropropene

Conditions

Conditions	Yield
With chlorine at 510℃; technische Darstellung;
With chlorine at 510℃; technische Darstellung;

: 624-65-7
2-propynyl chloride

A: 78-88-6
2,3-Dichloroprop-1-ene

B: 542-75-6
E/Z-1,3-Dichloropropene

Conditions

Conditions	Yield
With hydrogenchloride; mercury dichloride In acetic acid

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 107-02-8
acrolein

A: 542-75-6
E/Z-1,3-Dichloropropene

B: 563-57-5
3,3-dichloropropene

...Expand

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 107-02-8
acrolein

A: 542-75-6
E/Z-1,3-Dichloropropene

B: 20395-25-9
1,1,3-trichloropropane

C: 563-57-5
3,3-dichloropropene

...Expand

: 7647-01-0
hydrogenchloride

: 563-57-5
3,3-dichloropropene

: 542-75-6
E/Z-1,3-Dichloropropene

Conditions

Conditions	Yield
at 100℃;

: 563-57-5
3,3-dichloropropene

: 7705-08-0
iron(III) chloride

: 542-75-6
E/Z-1,3-Dichloropropene

Conditions

Conditions	Yield
Isomerisierung;

Raw Materials

624-65-7

74-87-3

563-57-5

10025-87-3

96-23-1

96-18-4

10026-13-8

107-05-1

Downstream Products

463-49-0

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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. 195.(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 . 41 (1986),p. 113.(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 Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 (1986),p. 113.(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) . NTP Carcinogenesis Studies (gavage); Clear Evidence: mouse, rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-269 ,1986. . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 1 ppm (skin)
ACGIH TLV: TWA 1 ppm (skin); Not Classifiable as a Human Carcinogen
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
DOT Classification: 3; Label: Flammable Liquid

Specification

The 1,3-Dichloropropene is an organic compound with the formula C₃H₄Cl₂. The systematic name of this chemical is (1E)-1,3-dichloroprop-1-ene. With the CAS registry number 542-75-6, it is also named as 1,3-Dichloro-1-propene. The product's categories are Pharmaceutical Raw Materials; Nematicides; Pesticides; Pesticides & Metabolites; Alpha sort;D; DAlphabetic; DIA - DICPesticides & Metabolites; API's; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is clear yellowish to brownish liquid, which should be stored in a cool dry and ventilated place. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union.

Physical properties about 1,3-Dichloropropene are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.94; (5)ACD/BCF (pH 7.4): 19.94; (6)ACD/KOC (pH 5.5): 296.5; (7)ACD/KOC (pH 7.4): 296.5; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 25.7 cm³; (11)Molar Volume: 94.4 cm³; (12)Polarizability: 10.18×10^-24cm³; (13)Surface Tension: 27.1 dyne/cm; (14)Density: 1.175 g/cm³; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 33.28 kJ/mol; (17)Boiling Point: 108.4 °C at 760 mmHg; (18)Vapour Pressure: 30.4 mmHg at 25°C.

Uses of 1,3-Dichloropropene: it can be used to produce trichloro-(3-chloro-allyl)-silane. It will need reagent trichlorosilane. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Itmay cause sensitisation by skin contact and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H]=CCCl
(2)InChI: InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(3)InChIKey: UOORRWUZONOOLO-OWOJBTEDBJ
(4)Std. InChI: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(5)Std. InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LCLo	inhalation	400ppm/7H (400ppm)		American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977.
mouse	LC50	inhalation	4650mg/m³/2H (4650mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 48, 1982.
mouse	LD50	oral	640mg/kg (640mg/kg)		Fundamental and Applied Toxicology. Vol. 8, Pg. 562, 1987.
rabbit	LD50	skin	504mg/kg (504mg/kg)		Dow Chemical Company Reports. Vol. MSD-405,
rat	LCLo	inhalation	1000ppm/2H (1000ppm)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE	American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977.
rat	LD50	intraperitoneal	175mg/kg (175mg/kg)		Toxicologist. Vol. 5, Pg. 2, 1985.
rat	LD50	oral	470mg/kg (470mg/kg)		Dow Chemical Company Reports. Vol. MSD-405,
rat	LD50	skin	775mg/kg (775mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C103, 1991.