Basic information
- Standard SMILES
O=C1CCCC1Cl- InChIKey
AXDZFGRFZOQVBV-UHFFFAOYSA-N- Molecular formula
- C5H7ClO
- Average molar mass
- 118.56 g/mol
- Monoisotopic mass
- 118.01854252
Names & identifiers
- Preferred name
- 2-Chlorocyclopentanone
- IUPAC
- 2-chlorocyclopentan-1-one
- English name
- 2-Chlorocyclopentanone
- Molecular formula
- C5H7ClO
- Molecular weight
- 118.56
Names & synonyms
2-Chlorocyclopentanone694-28-0CYCLOPENTANONE, 2-CHLORO-2-Chloro-1-cyclopentanonealpha-ChlorocyclopentanoneEINECS 211-769-9NSC 60206BRN 1098899.alpha.-Chlorocyclopentanone4-07-00-00012 (Beilstein Handbook Reference)DTXSID50883481RefChem:86470
Show more names
2-Chlorocyclopentano2-chloro-cyclopentanonα-Chlorocyclopentanoneo-chlorocyclopentanonea-ChlorocyclopentanoneCyclopentanone,2-chloro-2-Chlorocyclopentanone, 9
DTXCID201023009AXDZFGRFZOQVBV-UHFFFAOYSA-N2-chlorocyclopentan-1-one2-Chlorocyclopentan-oneMFCD00001410C5H7ClOchlorocyclopentanoneWLN: L5VTJ BG
Database identifiers
- CAS
694-28-0- PubChem CID
- 12751
- DTXSID
DTXSID50883481- EC Number
- 211-769-9
- Nikkaji
- J48.264A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 90.1
Physicochemical properties
- Boiling point
- 72 · 72-74 °C/12 mmHg (lit.)
- Density
- 1.185 g/mL · 1.185 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.474(lit.)
- Flash point
- 171 °F · 171 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear yellow to yellow-orange
- Water Solubility
- Soluble in water.
- BRN
- 1098899 · 1098899
- InChI
- 1S/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2
- InChIKey
- AXDZFGRFZOQVBV-UHFFFAOYSA-N
- SMILES
- ClC1CCCC1=O
- CAS DataBase Reference
- 694 · 694-28-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Cyclopentanone, 2-chloro-(694-28-0)
- EPA Substance Registry System
- 2 · Cyclopentanone, 2-chloro- (694-28-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 4900000 · GY4900000
- F
- 10 · 10-19
- TSCA
- TSCA listed
- HS Code
- 29147000 · 29147000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-19
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GY4900000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentanone, 2-chloro-: INACTIVE
Applications
Uses2-Chlorocyclopentanone is a ketone derivative that can be used as an organic reagent.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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