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1871-57-4

Basic Information
CAS No.: 1871-57-4
Name: 2-(CHLOROMETHYL)ALLYLTRICHLOROSILANE
Article Data: 35
Molecular Structure:
Molecular Structure of 1871-57-4 (2-(CHLOROMETHYL)ALLYLTRICHLOROSILANE)
Formula: C4H6Cl2
Molecular Weight: 124.998
Synonyms: Propene,3-chloro-2-(chloromethyl)- (6CI,7CI,8CI);1,1-Bis(chloromethyl)ethene;1,3-Dichloro-2-methylenepropane;2-(Chloromethyl)allyl chloride;2-Chloromethyl-2-propenyl chloride;2-Chloromethyl-3-chloro-1-propene;2-Chloromethyl-3-chloropropene;2-Methylene-1,3-dichloropropane;2-Methylenepropane-1,3-dichloride;NSC 88138;
EINECS: 217-489-3
Density: 1.114 g/cm3
Melting Point: 14 °C
Boiling Point: 137.999 °C at 760 mmHg
Flash Point: 36.667 °C
Appearance: clear colorless to yellow liquid
Hazard Symbols: ToxicT,IrritantXi,FlammableF
Risk Codes: 14-34-36/37/38-25-10
Safety: 26-27-36/37/39-45-16
PSA: 0.00000
LogP: 2.02020
Synthetic route
17831-70-8

3-chloro-2,2-bis(chloromethyl)propionic acid-1

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
at 205 - 215℃; Pyrolysis;99%
With quinoline
at 200 - 220℃; in presence of quinoline the pyrolysis begins at 100 deg C.; Yield given;
at 210℃; Yield given;
66703-69-3

1,3-dichloro-2-chloromethylpropane

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene 70 deg C, 24 h; 190 deg C;80%
2210-05-1

5,5-dichloromethyl-2-thia-1,3-dioxane 2-oxide

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
at 500℃; under 1 Torr; Inert atmosphere; Pyrolysis;65%
3513-81-3

2-(Hydroxymethyl)allyl alcohol

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
With pyridine; thionyl chloride In dichloromethane for 3h; Reflux;32%
With pyridine; thionyl chloride; chloroform

2,2-bis(chloromethyl)aziridine

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 5 - 50℃; for 5h; Large scale;29.1%
With hydrogenchloride; sodium nitrite at 20 - 50℃; Ring cleavage; elimination;85.0 g
91-22-5

quinoline

17831-70-8

3-chloro-2,2-bis(chloromethyl)propionic acid-1

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

597-32-0

1,3-dichloro-2-methyl-propan-2-ol

A

3375-22-2

1,3-dichloro-2-methylpropene

B

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
With sulfuric acid at 100℃; 1,3-dichloro-2-methyl-propene of uncertain stereochemical membership;
597-32-0

1,3-dichloro-2-methyl-propan-2-ol

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
With sulfuric acid at 100℃;
1871-58-5

1,2,3-trichloro-2-methylpropane

A

3375-22-2

1,3-dichloro-2-methylpropene

B

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

Conditions
ConditionsYield
at 450 - 460℃;
79437-10-8

1-chloro-2,2-di(chloromethyl)-2-nitroethane

A

1871-57-4

2-chloromethyl-3-chloroprop-1-ene

B

13245-65-3

1,3-dichloro-2-chloromethyl-1-propene

Conditions
ConditionsYield
With sodium amalgam
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Specification

The 1-Propene,3-chloro-2-(chloromethyl)-, with the CAS registry number 1871-57-4, is also known as 1,3-Dichloro-2-methylenepropane. Its EINECS registry number is 217-489-3. This chemical's molecular formula is C4H6Cl2 and molecular weight is 125. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloro-2-(chloromethyl)prop-1-ene. It is clear colorless to yellow liquid.

Physical properties about 1-Propene,3-chloro-2-(chloromethyl)- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.53; (6)ACD/BCF (pH 7.4): 32.53; (7)ACD/KOC (pH 5.5): 420.82; (8)ACD/KOC (pH 7.4): 420.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 29.84 cm3; (15)Molar Volume: 112.2 cm3; (16)Surface Tension: 25.9 dyne/cm; (17)Density: 1.113 g/cm3; (18)Flash Point: 36.7 °C; (19)Enthalpy of Vaporization: 35.98 kJ/mol; (20)Boiling Point: 138 °C at 760 mmHg; (21)Vapour Pressure: 8.53 mmHg at 25 °C; (22)Melting Point: 14 °C.

Uses of 1-Propene,3-chloro-2-(chloromethyl)-: it is used to produce other chemicals. For example, it is used to produce 2-Methylene-propane-1,3-diol. This reaction needs reagent KOH, solvent H2O and other condition of heating for 40 hours.

1-Propene,3-chloro-2-(chloromethyl)- is used to produce 2-Methylene-propane-1,3-diol.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it reacts violently with water and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. What's more, you should keep away from sources of ignition. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC/C(=C)CCl
(2) InChI: InChI=1/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
(3) InChIKey: XJFZOSUFGSANIF-UHFFFAOYAU

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 400mg/m3/4H (400mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.
mouse LD50 oral 250mg/kg (250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.
rat LD50 oral 150mg/kg (150mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.