Bromocyclobutane

HCID 78110CAS 4399-47-7
Substructure searchFind similar structures

Basic information

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 properties

XLogP
1.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
5

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications · 1 item

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
四川伟博贸易有限公司028-65199188 13880582998 · [email protected]
上海杰又杰新材料科技有限公司021-64837106 13564410395

Related reactions

140 records
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Linked notes

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