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Basic Information
CAS No.: 16136-85-9
Name: 1-CHLORO-1-PROPENE
Molecular Structure:
Molecular Structure of 16136-85-9 (1-CHLORO-1-PROPENE)
Formula: C3H5Cl
Molecular Weight: 76.5257
Synonyms: 1-Propene,1-chloro-, (E)-;Propene, 1-chloro-, (E)- (8CI);Propene, 1-chloro-, trans-(5CI);(E)-1-Chloro-1-propene;(E)-1-Chloropropene;trans-1-Chloro-1-propene;trans-1-Chloropropene;trans-1-Propenyl chloride;
Density: 0.921 g/cm3
Melting Point: -99°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-,(1E)- (9CI) is an organic compound with the formula C3H5Cl. The IUPAC name of this chemical is (E)-1-Chloroprop-1-ene. With the CAS registry number 16136-85-9, it is also named as 1-Propene, 1-chloro-,(1E)- (9CI). Besides, its molecular weight is 76.52.

Physical properties about 1-Propene, 1-chloro-,(1E)- (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.

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-NSCUHMNNBP
(3)Std. InChI: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+
(4)Std. InChIKey: OWXJKYNZGFSVRC-NSCUHMNNSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 229gm/m3 (229000mg/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.