Basic information
- CAS
1120-57-6- Standard SMILES
ClC1CCC1- InChIKey
STJYMUBZVMSMBP-UHFFFAOYSA-N- Molecular formula
- C4H7Cl
- Average molar mass
- 90.55 g/mol
- Monoisotopic mass
- 90.0236279
Names & identifiers
- Preferred name
- Chlorocyclobutane
- IUPAC
- chlorocyclobutane
- English name
- Cyclobutyl chloride
- Molecular formula
- C4H7Cl
- Molecular weight
- 90.55
Names & synonyms
Chlorocyclobutane1120-57-6cyclobutane, chloro-EINECS 214-314-2DTXSID60149808RefChem:125386DTXCID8072299214-314-2InChI=1/C4H7Cl/c5-4-2-1-3-4/h4H,1-3HCyclobutyl chloridechloro-cyclobutaneMFCD00013736
Show more names
1-ChlorocyclobutaneChlorocyclobutane >Cyclobutyl chloride,97%Chlorocyclobutane, 97+%CHLOROCYCLOBUTANE,CYCLOBUTYL CHLORIDE
Cyclobutyl chloride, 97%SCHEMBL280288SCHEMBL290620SCHEMBL1148178SCHEMBL1173252SCHEMBL14127355AKOS005254363AC-10054
Database identifiers
- CAS
1120-57-6- PubChem CID
- 70712
- DTXSID
DTXSID60149808- EC Number
- 214-314-2
- Nikkaji
- J203.350J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.6
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 83 °C · 83 °C (lit.)
- Density
- 0.991 g/mL · 0.991 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.436(lit.)
- Flash point
- 16 °F · 16 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.991 · 0.991
- Water Solubility
- Insoluble in water.
- BRN
- 1900414 · 1900414
- InChI
- 1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2
- InChIKey
- STJYMUBZVMSMBP-UHFFFAOYSA-N
- SMILES
- ClC1CCC1
- CAS DataBase Reference
- 1120 · 1120-57-6(CAS DataBase Reference)
- NIST Chemistry Reference
- Chlorocyclobutane(1120-57-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332
- Precautionary statements
- 210 · P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22
- Safety Statements
- 16 · 16-33-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29038900 · 29038900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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 CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29038900
- risk_code
- 11-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-33-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuffs.
General DescriptionCyclobutyl chloride is formed by rearrangements concerted with fragmentation of cyclopropylmethoxychlorocarbene and cyclobutoxychlorocarbene. The thermal decomposition of cyclobutyl chloride was investigated over the temperature range of 892-1150K using very low-pressure pyrolysis technique.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
5 records
Compound notes
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