Completing data — usually done within a minute
Basic information
- CAS
3448-29-1- Standard SMILES
CCOCCCCBr- InChIKey
AABRBNAXKRILNN-UHFFFAOYSA-N- Molecular formula
- C6H13BrO
- Average molar mass
- 181.07 g/mol
- Monoisotopic mass
- 180.01498
Names & identifiers
- Preferred name
- 1-Bromo-4-ethoxybutane
- IUPAC
- 1-bromo-4-ethoxybutane
Names & synonyms
1-bromo-4-ethoxybutane3448-29-11,4-bromoethoxybutane4-bromo-1-ethoxybutaneButane, 1-bromo-4-ethoxySCHEMBL3332189SCHEMBL5926275SCHEMBL9121019SCHEMBL11819733EN300-673910
Database identifiers
- CAS
3448-29-1- PubChem CID
- 6427573
- EC Number
- 118-011-5
- Nikkaji
- J567.241D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 39
Experimental & physicochemical properties
Kovats Retention Index994.3；1001.3
Safety & regulation
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
2 records
Compound notes
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