Basic information
- CAS
878-61-5- Standard SMILES
CCC12CC3CC(CC(Br)(C3)C1)C2- InChIKey
QUUCNKWMKRZRGC-UHFFFAOYSA-N- Molecular formula
- C12H19Br
- Average molar mass
- 243.18 g/mol
- Monoisotopic mass
- 242.06701271
Names & identifiers
- Preferred name
- 1-Bromo-3-ethyladamantane
- IUPAC
- 1-bromo-3-ethyladamantane
- English name
- 1-Bromo-3-ethyladamantane
- Molecular formula
- C12H19Br
- Molecular weight
- 243.18
Names & synonyms
1-bromo-3-ethyladamantane878-61-5DTXSID10370802RefChem:228499DTXCID303218361-Ethyl-3-bromoadamantane1-bromo-3-ethyl-adamantaneMFCD00274777CDS1_000293Memantine Impurity 26Maybridge1_0025811-Bromo-3-ethyl Adamantane
Show more names
(1s,3s,5R,7S)-1-bromo-3-ethyladamantaneCarboxyamidotriazole Impurity 81-Bromo-3-ethyltricyclo[3.3.1.1(3,7)]decaneTricyclo[3.3.1.13,7]decane, 1-bromo-3-ethyl-
DivK1c_001333SCHEMBL11252025HMS548N07QUUCNKWMKRZRGC-UHFFFAOYSA-NALBB-035173SBB054634AKOS016014135AS-9076
Database identifiers
- CAS
878-61-5- PubChem CID
- 2735567
- DTXSID
DTXSID10370802
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 23 °C · 23 °C
- Boiling point
- 124 °C · 124 °C
- Density
- 1.344 · 1.344±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 115.6 · 115.6±8.4℃
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2903898090 · 2903898090
Safety & regulation
Safety data
- hs_code
- 2903898090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses1-Ethyl-3-bromoadamantane have been used in the synthesis of 1-adamantyloxyalkanols. Adamantane Impurity 3
Uses1-Bromo-3-ethyladamantane have been used in the synthesis of 1-adamantyloxyalkanols.
Upstream & downstream products
Downstream products
Suppliers40 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
2 records
Compound notes
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