3-Chlorocyclopent-1-ene

HCID 7297

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 96-40-2
Standard SMILES: ClC1C=CCC1
InChIKey: LPSWJRSLXCPGBK-UHFFFAOYSA-N
Molecular formula: C5H7Cl
Average molar mass: 102.56 g/mol
Monoisotopic mass: 102.0236279

Names & identifiers

Preferred name: 3-Chlorocyclopent-1-ene
IUPAC: 3-chlorocyclopentene
English name: 3-Chlorocyclopentene
Molecular formula: C5H7Cl
Molecular weight: 102.56

Names & synonyms

3-CHLOROCYCLOPENTENE3-chlorocyclopent-1-eneDTXSID10914700RefChem:500480DTXCID801343687887-179-696-40-2Cyclopentene, 3-chloro-3-chloro-cyclopentene3-chloro-1-cyclopentene3-Chlorocyclopenterie3-Chlorocyclo-pentene

Show more names

SKL4962-Cyclopentenyl chloride2-cyclopenten-1-yl chloride

chlorocyclopent-2-eneSCHEMBL71655SCHEMBL28176115AKOS006277957EN300-93758

Database identifiers

CAS: 96-40-2
PubChem CID: 7297
DTXSID: DTXSID10914700
EC Number: 887-179-6
Nikkaji: J22.865F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 66

Experimental & physicochemical properties

Kovats Retention Index742

Physicochemical properties

Boiling point: 79.13 °C · 79.13°C (rough estimate)
Density: 1.0388 · 1.0388
refractive index: 1.4708 · 1.4708
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 3 · Cyclopentene, 3-chloro- (96-40-2)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H335-H315-H319
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS07
Hazard statements: H225-H335-H315-H319
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362