Bromocyclobutane
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Basic information
- CAS
4399-47-7- Standard SMILES
BrC1CCC1- InChIKey
KXVUSQIDCZRUKF-UHFFFAOYSA-N- Molecular formula
- C4H7Br
- Average molar mass
- 135 g/mol
- Monoisotopic mass
- 133.97311232
Names & identifiers
- Preferred name
- Bromocyclobutane
- IUPAC
- bromocyclobutane
- English name
- Cyclobutyl bromide
- Molecular formula
- C4H7Br
- Molecular weight
- 135
Names & synonyms
Bromocyclobutane4399-47-7EINECS 224-530-9DTXSID20196010RefChem:570334DTXCID30118501224-530-9Cyclobutyl bromideCyclobutane, bromo-MFCD00001317cyclobutylbromidecyclobutylbromid
Show more names
obutaneCyclobutyl halideCyclobutane,bromo-BroMocyclobutane 96%Bromocyclobutane,95%Bromocyclobutane >Cyclobutylbromide,96%
bromo cyclobutanebromo-CyclobutaneBromocyclobutane, 96%R2WW7AXM8TSCHEMBL27396SCHEMBL1411615SCHEMBL2905548SCHEMBL3217229
Database identifiers
- CAS
4399-47-7- PubChem CID
- 78110
- DTXSID
DTXSID20196010- UNII
- R2WW7AXM8T
- EC Number
- 224-530-9
- Nikkaji
- J205.778F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- 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
- Boiling point
- 108 °C · 108 °C(lit.)
- Density
- 1.434 g/mL · 1.434 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.479(lit.)
- Flash point
- 72 °F · 72 °F
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Insoluble
- Sensitive
- Light Sensitive
- BRN
- 1900415 · 1900415
- InChI
- InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
- InChIKey
- KXVUSQIDCZRUKF-UHFFFAOYSA-N
- SMILES
- C1(Br)CCC1
- CAS DataBase Reference
- 4399 · 4399-47-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Cyclobutyl bromide(4399-47-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 10 · 10-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37/39-16
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- F
- 8 · 8
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29038900 · 29038900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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 49 reports by companies from 7 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
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29038900
- risk_code
- 10-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCyclobutyl bromide is a cyclopentyl compound that has an hydroxyl group. It is a potent inhibitor of the CB2 receptor, which is primarily expressed on cells of the immune system. Cyclobutyl bromide has been shown to inhibit the uptake of uv light and also has anti-inflammatory properties. Studies have confirmed that this drug inhibits the production of cytokines and chemokines in chronic bronchitis patients, as well as other inflammatory diseases such as rheumatoid arthritis.
Upstream & downstream products
Upstream raw materials
Related reactions
140 records
Compound notes
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