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| CAS No.: | 16136-84-8 |
|---|---|
| Name: | CIS-1-CHLOROPROPENE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C3H5Cl |
| Molecular Weight: | 76.5257 |
| Synonyms: | 1-Propene,1-chloro-, (Z)-;Propene, 1-chloro-, (Z)- (8CI);(Z)-1-Chloro-1-propene;(Z)-1-Chloropropene;cis-1-Chloro-1-propene;cis-1-Chloropropene; |
| Density: | 0.921 g/cm3 |
| Melting Point: | -134.8°C |
| Boiling Point: | 37.4 °C at 760 mmHg |
| PSA: | 0.00000 |
| LogP: | 1.75880 |
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Specification
The 1-Propene, 1-chloro-,(1Z)- (9CI) is an organic compound with the formula C3H5Cl. The IUPAC name of this chemical is (Z)-1-Chloroprop-1-ene. With the CAS registry number 16136-84-8, it is also named as 1-Chloro-1-propene. Besides, its molecular weight is 76.52.
Physical properties about 1-Propene, 1-chloro-,(1Z)- (9CI) are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.29; (5)ACD/BCF (pH 7.4): 18.29; (6)ACD/KOC (pH 5.5): 278.72; (7)ACD/KOC (pH 7.4): 278.72; (8)Index of Refraction: 1.416; (9)Molar Refractivity: 20.85 cm3; (10)Molar Volume: 83 cm3; (11)Polarizability: 8.26×10-24 cm3; (12)Surface Tension: 20.7 dyne/cm; (13)Density: 0.921 g/cm3; (14)Enthalpy of Vaporization: 27.05 kJ/mol; (15)Boiling Point: 37.4 °C at 760 mmHg; (16)Vapour Pressure: 486 mmHg at 25 °C.
Preparation: this chemical can be prepared by Propene. This reaction will need reagents CuCl2; α-Al2O3, catalyst benzoyl peroxide and solvent benzene. The reaction time is 2 s with reaction temperature of 489.9 °C. The yield is about 91.4%.
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Uses of 1-Propene, 1-chloro-,(1Z)- (9CI): it can be used to produce 3-Bromo-1-chloro-propene. The yield is about 40%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-
(2)InChIKey: OWXJKYNZGFSVRC-IHWYPQMZBM
(3)Std. InChI: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-
(4)Std. InChIKey: OWXJKYNZGFSVRC-IHWYPQMZSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 221gm/m3 (221000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | University of California, Berkeley, Publications in Pharmacology. Vol. 2, Pg. 39, 1941. |