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| CAS No.: | 10061-02-6 |
|---|---|
| Name: | (E)-1,3-Dichloro-1 -propene |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H4Cl2 |
| Molecular Weight: | 110.971 |
| Synonyms: | 1-Propene,1,3-dichloro-, (E)-;Propene, 1,3-dichloro-, (E)- (8CI);(E)-1,3-Dichloro-1-propene;(E)-1,3-Dichloropropene;trans-1,3-Dichloro-1-propene;trans-1,3-Dichloropropylene;trans-3-Chloroallyl chloride; |
| EINECS: | 208-826-5 |
| Density: | 1.175 g/cm3 |
| Melting Point: | -95oC |
| Boiling Point: | 108.4 °C at 760 mmHg |
| Flash Point: | 27.8 °C |
| Solubility: | Insoluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 T,  N, Xn, F
|
| Risk Codes: | 10-20/21-25-36/37/38-43-50/53-40-22-39/23/24/25-23/24/25-11 |
| Safety: | 36/37-45-60-61-16-7 |
| Transport Information: | UN 1992 |
| PSA: | 0.00000 |
| LogP: | 1.97770 |
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- 10061-01-5
(Z)-1,3-dichloropropene
- 10061-02-6
(E)-1,3-dichloro-prop-1-ene
| Conditions | Yield |
|---|---|
| With bromine In methanol at 25℃; for 1h; Time; Solvent; Reagent/catalyst; Temperature; UV-irradiation; | 43.7% |
| Conditions | Yield |
|---|---|
| With iron(III) chloride |
| Conditions | Yield |
|---|---|
| With chlorine at 500℃; |
- 67-56-1
methanol
- 96-18-4
1,2,3-trichloropropane
A
- 78-88-6
2,3-Dichloroprop-1-ene
B
- 34680-34-7
1,2-Dichlor-3-methoxy-propane
C
- 10061-01-5
(Z)-1,3-dichloropropene
D
- 32804-08-3
2-chloro-3-methoxypropene
F
- 10061-02-6
(E)-1,3-dichloro-prop-1-ene
| Conditions | Yield |
|---|---|
| With aluminium at 250℃; Product distribution; Mechanism; other temp.; |
- 7782-50-5
chlorine
- 107-05-1
3-chloroprop-1-ene
A
- 78-88-6
2,3-Dichloroprop-1-ene
B
- 10061-01-5
(Z)-1,3-dichloropropene
C
- 563-57-5
3,3-dichloropropene
D
- 10061-02-6
(E)-1,3-dichloro-prop-1-ene
| Conditions | Yield |
|---|---|
| at 510℃; nach Vorwaermen auf 100grad; | |
| at 510℃; nach Vorwaermen auf 100grad; |
| Conditions | Yield |
|---|---|
| With chlorine at 560℃; |
- 421-17-0
Trifluoromethylsulfenyl chloride
- 624-65-7
2-propynyl chloride
A
- 10061-02-6
(E)-1,3-dichloro-prop-1-ene
| Conditions | Yield |
|---|---|
| In pentane at -78 - 20℃; Further byproducts given. Title compound not separated from byproducts; |
- 142-28-9
1,3-Dichloropropane
- 627-30-5
1-chloro-3-hydroxypropane
A
- 930-37-0
glycidyl methyl ether
B
- 1436-34-6
1,2-Epoxyhexane
C
- 78-88-6
2,3-Dichloroprop-1-ene
D
- 5976-47-6
2-chloroallyl alcohol
E
- 3175-23-3
1,2,2-trichloropropane
F
- 26198-63-0, 78-87-5
1,2-Dichloropropane
G
- 10061-01-5
(Z)-1,3-dichloropropene
H
- 13116-58-0
1,2,3-trichloro-1-propene
I
- 96-19-5, 13116-58-0, 13116-57-9
(1Z)-1,2,3-trichloroprop-1-ene
J
- 2953-50-6
1,3,3-trichloro-propene
K
- 2598-01-8
1t,3,3-trichloro-propene
L
- 124-48-1
chlorodibromomethane
M
- 598-77-6
1,1,2-trichloropropane
N
- 616-23-9
2,3-Dichloro-1-propanol
O
- 96-23-1
1,3-Dichloro-2-propanol
P
- 96-18-4
1,2,3-trichloropropane
Q
- 563-57-5
3,3-dichloropropene
R
- 2567-14-8
3,3-dichloroallyl chloride
S
- 75-07-0
acetaldehyde
T
- 107-18-6
allyl alcohol
U
- 116-09-6
hydroxy-2-propanone
V
- 78-95-5
chloroacetone
W
- 120-92-3
cyclopentanone
X
- 108-90-7
chlorobenzene
Y
- 67-63-0
isopropyl alcohol
Z
- 96-24-2
3-monochloro-1,2-propanediol
[
- 107-02-8
acrolein
\
- 106-89-8
epichlorohydrin
]
- 10061-02-6
(E)-1,3-dichloro-prop-1-ene
| Conditions | Yield |
|---|---|
| With sodium hydroxide; water at 45 - 62.4℃; under 112.511 - 750.075 Torr; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| [Li(tmeda)]2[Fe(C2H4)4] In tetrahydrofuran at -20℃; | 98% |
| Stage #1: (E)-1,3-dichloro-prop-1-ene; [Fe(C2H4)4][Li(tmeda)]2 In tetrahydrofuran at -20℃; Stage #2: phenylmagnesium bromide In tetrahydrofuran; diethyl ether at -20℃; Further stages.; | 96% |
- 10061-02-6
(E)-1,3-dichloro-prop-1-ene
- 70589-82-1
(E)-(3-chloroallyl)phosphonic dichloride
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; phosphorus trichloride at 45℃; Inert atmosphere; | 97% |
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Specification
The IUPAC name of trans-1,3-Dichloropropene is (E)-1,3-dichloroprop-1-ene. With the CAS registry number 10061-02-6, it is also named as 1-Propene, 1,3-dichloro-, (E)-. The product's categories are Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Alpha Sort; DIA - DIC; Volatiles / Semivolatiles. It is colourless liquid with chloroform odor which is stable and incompatible with strong oxidizing agents, aluminium, aluminium alloys, some metal salts and halogens. What's more, trans-1,3-Dichloropropene may be light sensitive. When heated to decomposition it emits toxic fumes of Cl-. Additioanlly, the storage environment should be ventilate, low-temperature and dry.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.94; (6)ACD/BCF (pH 7.4): 19.94; (7)ACD/KOC (pH 5.5): 296.5; (8)ACD/KOC (pH 7.4): 296.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 25.7 cm3; (14)Molar Volume: 94.4 cm3; (15)Polarizability: 10.18×10-24 cm3; (16)Surface Tension: 27.1 dyne/cm; (17)Enthalpy of Vaporization: 33.28 kJ/mol; (18)Vapour Pressure: 30.4 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 109.969006; (21)MonoIsotopic Mass: 109.969006; (22)Heavy Atom Count: 5; (23)Complexity: 31.9.
Uses of trans-1,3-Dichloropropene: It can react with propan-2-one to get 5-chloro-2-methyl-4-penten-2-ol. This reaction needs reagent zinc dust, NH4Cl and solvent H2O at temperature of 25 °C. The yield is 60%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule 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
The following are the toxicity data which has been tested.
| 1. | mmo-sat 20 µg/plate | CNREA8 Cancer Research. 37 (1977),1915. | ||
| 2. | mma-sat 20 µg/plate | CNREA8 Cancer Research. 37 (1977),1915. | ||
| 3. | dns-hmn:hla 100 µmol/L | CALEDQ Cancer Letters (Shannon, Ireland). 20 (1983),263. |