Bromomethylcyclopropane
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Basic information
- CAS
7051-34-5- Standard SMILES
BrCC1CC1- InChIKey
AEILLAXRDHDKDY-UHFFFAOYSA-N- Molecular formula
- C4H7Br
- Average molar mass
- 135 g/mol
- Monoisotopic mass
- 133.97311
Names & identifiers
- Preferred name
- Bromomethylcyclopropane
- IUPAC
- bromomethylcyclopropane
- English name
- (Bromomethyl)cyclopropane
- Molecular formula
- C4H7Br
- Molecular weight
- 135
Names & synonyms
(Bromomethyl)cyclopropane7051-34-5BromomethylcyclopropaneCyclopropane, (bromomethyl)-1-(bromomethyl)cyclopropaneCyclopropanemethyl bromideD8ZPP7X54BEINECS 230-331-8DTXSID40220785(BROMO)(CYCLOPROPYL)METHANERefChem:121604DTXCID70143276
Show more names
Cyclopropylcarbinyl bromideCPMBr(Bromomethyl)cyclopr(Xiu Jiaji)cyclopropaneBroMoMethyl)cyclopropanCyclopropylmethylbromidRoflumilast impurity 18CYCLOPROPYLMETYL BROMIDE
230-331-8AEILLAXRDHDKDY-UHFFFAOYSA-NCyclopropylmethyl bromideMFCD00001306bromocyclopropylmethaneCyclopropyl bromo methanebromomethyl cyclopropanecyclopropylmethylbromide
Database identifiers
- CAS
7051-34-5- PubChem CID
- 81503
- DTXSID
DTXSID40220785- UNII
- D8ZPP7X54B
- EC Number
- 230-331-8
- Nikkaji
- J23.250E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30
Physicochemical properties
- Melting point
- 87 · 87-90 °C
- Boiling point
- 105 · 105-107 °C(lit.)
- Density
- 1.392 g/mL · 1.392 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.457(lit.)
- Flash point
- 107 °F · 107 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 1.392 · 1.392
- color
- Clear colorless to slightly colored
- Water Solubility
- Not miscible in water.
- BRN
- 605296 · 605296
- Stability
- Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
- InChIKey
- AEILLAXRDHDKDY-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 0.5% (1 of 182) of reports.
Danger
H225 (57.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (42.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (69.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (69.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (68.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 182 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 182 reports by companies.；There are 15 notifications provided by 181 of 182 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Cyclopropane, (bromomethyl)-
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21443
Bromomethyl-cyclopropane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Chemistry & industry
Applications
Uses(Bromomethyl)cyclopropane is used in the synthesis of 1,4-dienes by iron-catalyzed cross-coupling with alkenyl Grignard reagents.
Description(Bromomethyl) cyclopropane is a cyclopropane derivative. It can be used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1, 4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.
Uses(Bromomethyl)cyclopropane was used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.
General DescriptionThe coupling reaction of (bromomethyl)cyclopropane with phenylmagnesium bromide was studied.
Upstream & downstream products
Upstream raw materials
Related reactions
1,476 records
Compound notes
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