Basic information
- Standard SMILES
O=C(Cl)C1CCC1- InChIKey
JFWMYCVMQSLLOO-UHFFFAOYSA-N- Molecular formula
- C5H7ClO
- Average molar mass
- 118.56 g/mol
- Monoisotopic mass
- 118.01854252
Names & identifiers
- Preferred name
- Cyclobutanecarbonyl chloride
- IUPAC
- cyclobutanecarbonyl chloride
- English name
- Cyclobutanecarbonyl chloride
- Molecular formula
- C5H7ClO
- Molecular weight
- 118.56
Names & synonyms
Cyclobutanecarbonyl chloride5006-22-4Cyclobutanecarboxylic acid chlorideCyclobutane carboxyl chlorideEINECS 225-680-8DTXSID40198197NSC 93778RefChem:129392DTXCID70120688225-680-8JFWMYCVMQSLLOO-UHFFFAOYSA-NCyclobutanecarbonylchloride
Show more names
CyclobutanecarbonylTIMTEC-BB SBB007882CYCLOBUTAN-1-ONEOXIMEcyclobutancarbonylchloridCyclobutanecarbony ChlorideCYCLOBUTANE-1-CARBONYL CHLORIDE
cyclobutylcarbonyl chloridecyclobutanoyl chloridecyclobutylcarboxylic acid chloridecyclobutylcarbonylchlorideMFCD00001319Cyclobutanecarboxylic chlorideSCHEMBL126540Cyclobutane carboxylic acid chloride
Database identifiers
- CAS
5006-22-4- PubChem CID
- 78705
- DTXSID
DTXSID40198197- EC Number
- 225-680-8
- Nikkaji
- J203.240F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.1
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- Boiling point
- 60 °C/50 · 60 °C/50 mmHg (lit.)
- Density
- 1.039 g/mL · 1.039 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 99 °F · 99 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- Sensitive
- Moisture Sensitive
- BRN
- 956624 · 956624
- InChI
- InChI=1S/C5H7ClO/c6-5(7)4-2-1-3-4/h4H,1-3H2
- InChIKey
- JFWMYCVMQSLLOO-UHFFFAOYSA-N
- SMILES
- C(Cl)(C1CCC1)=O
- CAS DataBase Reference
- 5006 · 5006-22-4(CAS DataBase Reference)
- NIST Chemistry Reference
- Cyclobutanecarboxylic acid chloride(5006-22-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,F
- Risk Statements
- 10 · 10-34
- Safety Statements
- 26 · 26-36/37/39-45-16
- RIDADR
- 2920 · UN 2920 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Flammable/Corrosive/Moisture Sensitive
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29162090 · 29162090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Skin · Flam. Liq. 3Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclobutanecarbonyl chloride
Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26118
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29162090
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,F
- hazard_note
- Flammable/Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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