Basic information
- CAS
78385-26-9- Standard SMILES
CC1(CBr)COC1- InChIKey
MGBZKWOJRYGRTO-UHFFFAOYSA-N- Molecular formula
- C5H9BrO
- Average molar mass
- 165.03 g/mol
- Monoisotopic mass
- 163.98367701
Names & identifiers
- Preferred name
- Oxetane, 3-(bromomethyl)-3-methyl-
- IUPAC
- 3-(bromomethyl)-3-methyloxetane
- English name
- 3-Bromomethyl-3-methyloxetane
- Molecular formula
- C5H9BrO
- Molecular weight
- 165.03
Names & synonyms
3-(bromomethyl)-3-methyloxetane78385-26-9Oxetane, 3-(bromomethyl)-3-methyl-Oxetane, 3-bromomethyl-3-methyl-DTXSID2074409RefChem:857117DTXCID1048122675-615-63-Bromomethyl-3-methyloxetaneMFCD026842903-bromomethyl-3-methyl oxetane3-(bromomethyl)-3-methyl-oxetane
Show more names
BUTTPARK 89\10-223-Bromomethyl-3-methyloxe...3-Bromomethyl-3-methyl-1-oxetane3-(Bromomethyl)-3-methyloxetane. (BMO)3-Bromomethyl-3-methyloxetane - [B0548]Oxetane, 3-(bromomethyl)-3-methyl- (9CI)2-(Bromomethyl)-2-methyl-1,3-epoxypropane
A839406AKOS006276628GS-4540SY008845EN300-3075073-methyl-3-bromomethyloxetaneSCHEMBL2541533-bromomethyl-3-methyl-oxetane
Database identifiers
- CAS
78385-26-9- PubChem CID
- 144860
- DTXSID
DTXSID2074409- EC Number
- 675-615-6
- Nikkaji
- J1.781.489C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68.5
Physicochemical properties
- Boiling point
- 162 ℃ · 162℃
- Density
- 1.438 · 1.438
- refractive index
- 1.48 to · 1.4800 to 1.4840
- Flash point
- 62 ℃ · 62℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
- InChIKey
- MGBZKWOJRYGRTO-UHFFFAOYSA-N
- SMILES
- O1CC(CBr)(C)C1
- EPA Substance Registry System
- 3 · Oxetane, 3-(bromomethyl)-3-methyl- (78385-26-9)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H334-H411
- Precautionary statements
- 501 · P501-P261-P273-P264-P280-P284-P302+P352-P391-P342+P311-P362+P364-P304+P340-P332+P313
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2932990090
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H334-H411
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P501-P261-P273-P264-P280-P284-P302+P352-P391-P342+P311-P362+P364-P304+P340-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOxetane, 3-(bromomethyl)-3-methyl-: ACTIVE
Applications
Uses3-(Bromomethyl)-3-methyloxetane is a monomer for the synthesis of Poly 3-bromomethyl-3-Me oxetane (PolyBrMMO), an energetic thermoplastic elastomer for propellant formulations.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
49 records
Compound notes
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