3-Chlorocyclopentene supplier

Name
3-Chlorocyclopentene
EINECS
CAS No. 96-40-2
Article Data1
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₅H₇Cl
Boiling Point 120.7 °C at 760 mmHg
Molecular Weight 102.564
Flash Point 8.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-2-cyclopentene;3-Chlorocyclopent-1-ene;3-Chlorocyclopentene;DL-3-Chloro-1-cyclopentene;
PSA 0.00000
LogP 1.94380

3-Chlorocyclopentene Specification

The IUPAC name of this chemical is 3-Chlorocyclopentene. With the CAS registry number 96-40-2, it is also named as Cyclopentene, 3-chloro-. In addition, the molecular formula is C₅H₇Cl and the molecular weight is 102.56. It should be stored in a cool and dry place.

Physical properties about this chemical are: (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): 19.81; (6)ACD/BCF (pH 7.4): 19.81; (7)ACD/KOC (pH 5.5): 295.09; (8)ACD/KOC (pH 7.4): 295.09 ; (9)Index of Refraction: 1.483; (10)Molar Refractivity: 27.86 cm³; (11)Molar Volume: 97.5 cm³; (12)Polarizability: 11.04 ×10^-24cm³; (13)Surface Tension: 28.3 dyne/cm; (14)Density: 1.05 g/cm³; (15)Flash Point: 8.7 °C; (16)Enthalpy of Vaporization: 34.39 kJ/mol; (17)Boiling Point: 120.7 °C at 760 mmHg; (18)Vapour Pressure: 18.1 mmHg at 25°C.

Preparation of 3-Chlorocyclopentene: it can be prepared by cyclopenta-1,3-diene. This reaction will need reagent HCl(gas). The reaction time is 1.5 hours at reaction temperature of -78 °C. The yield is about 45%.

3-Chlorocyclopentene can be prepared by cyclopenta-1,3-diene

Uses of 3-Chlorocyclopentene: it can react with 2-piperazin-1-yl-ethanol to get 2-(4-cyclopent-2-enyl-piperazin-1-yl)-ethanol. This reaction will need solvent ethyl acetate. The yield is about 45%.

3-Chlorocyclopentene can react with 2-piperazin-1-yl-ethanol to get 2-(4-cyclopent-2-enyl-piperazin-1-yl)-ethanol

You can still convert the following datas into molecular structure:
(1)SMILES: ClC1\C=C/CC1
(2)InChI: InChI=1/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2
(3)InChIKey: LPSWJRSLXCPGBK-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	1010uL/kg (1.01mL/kg)	LIVER: OTHER CHANGES ENDOCRINE: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0570924,
rat	LC50	inhalation	1440ppm/4H (1440ppm)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0570924,
rat	LD50	oral	324uL/kg (0.324mL/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0570924,

Product Name

3-Chlorocyclopentene

3-Chlorocyclopentene Specification

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