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10061-01-5

Basic Information
CAS No.: 10061-01-5
Name: CIS-1,3-DICHLOROPROPENE
Article Data: 9
Molecular Structure:
Molecular Structure of 10061-01-5 (CIS-1,3-DICHLOROPROPENE)
Formula: C3H4Cl2
Molecular Weight: 110.971
Synonyms: 1-Propene,1,3-dichloro-, (Z)-;Propene, 1,3-dichloro-, (Z)- (8CI);(Z)-1,3-Dichloro-1-propene;(Z)-1,3-Dichloropropene;cis-1,3-Dichloropropene;cis-1,3-Dichloropropylene;cis-3-Chloroallyl chloride;cis-Telone;
EINECS: 233-195-8
Density: 1.175 g/cm3
Melting Point: -50 °C
Boiling Point: 108.389 °C at 760 mmHg
Flash Point: 27.778 °C
Solubility: 1.071g/L(30 oC)
Appearance: colourless to amber liquid
Hazard Symbols: ToxicT, DangerousN, FlammableF
Risk Codes: 10-20/21-25-36/37/38-43-50/53-52/53-39/23/24/25-23/24/25-11
Safety: 36/37-45-60-61-16-7
Transport Information: UN 2047 3/PG 2
PSA: 0.00000
LogP: 1.97770
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Consensus Reports

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Specification

The IUPAC name of cis-1,3-Dichloropropene is (Z)-1,3-dichloroprop-1-ene. With the CAS registry number 10061-01-5, it is also named as 1-Propene, 1,3-dichloro-, (Z)-. The product's categories are Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Alpha Sort; Volatiles / Semivolatiles; Alphabetic; DIA - DIC; Monomers; Polymer Science; Vinyl Halides, Amines, Amides, and Other Vinyl Monomers. It is colourless to amber liquid with a sweetish odor which is stable and incompatible with strong oxidizing agents, aluminium and its alloys, active metals, halogens, some metal salts. What's more, cis-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 cis-1,3-Dichloropropene: It can react with cyclododecanone to get 2-(chloroprop-3-enyl)cyclododecanone. This reaction needs reagents KOH, dibenzo-18-crown-6 and solvent benzene at temperature of 70-75 °C. The reaction time is 10 hours. The yield is 70%.

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 toxic by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. And it is also 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.