Basic information
- Standard SMILES
BrCC1(CBr)COC1- InChIKey
QOPMHMFIIMJWET-UHFFFAOYSA-N- Molecular formula
- C5H8Br2O
- Average molar mass
- 243.92 g/mol
- Monoisotopic mass
- 241.89419
Names & identifiers
- Preferred name
- Oxetane, 3,3-bis(bromomethyl)-
- IUPAC
- 3,3-bis(bromomethyl)oxetane
- English name
- 3,3-Bis(bromomethyl)oxetane
- Molecular formula
- C5H8Br2O
- Molecular weight
- 243.92
Names & synonyms
3,3-bis(bromomethyl)oxetane2402-83-7Oxetane, 3,3-bis(bromomethyl)-3,3-Di(bromomethyl) oxetaneNSC 281665DTXSID6062383RefChem:857114DTXCID3036991803-436-73,3-bis-bromomethyl-oxetaneMFCD002696948QL52ZX4WM
Show more names
3,3-Bis-brommethyl-oxetan3,3-Bis(bromomethyl)oxetane - [B6661]2,2-Bis(bromomethyl)-1,3-epoxypropane
NSC-281665bbmoNSC281665UNII-8QL52ZX4WMOxetane,3-bis(bromomethyl)-SCHEMBL6936323,3-bis-(bromomethyl)oxetaneF2147-0740
Database identifiers
- CAS
2402-83-7- PubChem CID
- 75464
- DTXSID
DTXSID6062383- UNII
- 8QL52ZX4WM
- EC Number
- 803-436-7
- Nikkaji
- J421.612A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
Kovats Retention Index1235
Physicochemical properties
- Melting point
- 25 ℃ · 25℃
- Boiling point
- 125 ℃ · 125℃ (23 Torr)
- Density
- 1.83 g/cm3 · 1.83 g/cm3(Temp: 25 °C)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- Colourless to Off-White
- Stability
- Hygroscopic
- InChI
- InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2
- InChIKey
- QOPMHMFIIMJWET-UHFFFAOYSA-N
- SMILES
- O1CC(CBr)(CBr)C1
- FDA UNII
- 8 QL52ZX4WM · 8QL52ZX4WM
- EPA Substance Registry System
- 3 · Oxetane, 3,3-bis(bromomethyl)- (2402-83-7)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 34 · 34-22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2932990090 · 2932990090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Corr. 1B (11.4%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2932990090
- risk_code
- 34-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOxetane, 3,3-bis(bromomethyl)-: ACTIVE
Applications
Uses3,3-Bis(bromomethyl)oxetane is a useful research chemical used in the preparation of tetrahydrofuran/thiolane derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
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Related reactions
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