Basic information
- CAS
59104-79-9- Standard SMILES
CCCCCCC(Br)Br- InChIKey
AENZTLHIVNISKG-UHFFFAOYSA-N- Molecular formula
- C7H14Br2
- Average molar mass
- 257.99 g/mol
- Monoisotopic mass
- 255.94623
Names & identifiers
- Preferred name
- 1,1-Dibromoheptane
- IUPAC
- 1,1-dibromoheptane
- English name
- 1,1-dibromoheptane
- Molecular formula
- C7H14Br2
- Molecular weight
- 257.99406
Names & synonyms
1,1-DIBROMOHEPTANE59104-79-9DTXSID80207853RefChem:71016DTXCID30130344962-553-2Heptane, 1,1-dibromo-SCHEMBL632849SCHEMBL961605SCHEMBL8837296EN300-6489390
Database identifiers
- CAS
59104-79-9- PubChem CID
- 42952
- DTXSID
DTXSID80207853- EC Number
- 962-553-2
- Nikkaji
- J336.219A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 224.92 °C · 224.92°C (estimate)
- Density
- 1.5944 · 1.5944 (estimate)
- refractive index
- 1.498 · 1.4980
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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