Basic information
- CAS
3377-87-5- Standard SMILES
CCCC(Br)CC- InChIKey
IOZOJWNUKLCDML-UHFFFAOYSA-N- Molecular formula
- C6H13Br
- Average molar mass
- 165.07 g/mol
- Monoisotopic mass
- 164.02006252
Names & identifiers
- Preferred name
- 3-Bromohexane
- IUPAC
- 3-bromohexane
- English name
- 3-bromohexane
- Molecular formula
- C6H13Br
- Molecular weight
- 165.07
Names & synonyms
3-BROMOHEXANEHexane, 3-bromo-EINECS 222-174-9DTXSID20871017RefChem:93246DTXCID50818692222-174-9IOZOJWNUKLCDML-UHFFFAOYSA-N3377-87-5MFCD000391813-bromo-hexane3-Hexyl Bromide
Show more names
3-bromo-hexan3-BroMohexane 3-Bromohexane (stabilized with Copper chip)(contains 2-BroMohexane) (stabilized with Copper chip)3-BroMohexane (contains 2-BroMohexane) (stabilized with Copper chip)3-Bromohexane (contains 2-Bromohexane)(stabilized with Copper chip)>
SCHEMBL574546AZ67PZ328NSCHEMBL1748936SCHEMBL2801364SCHEMBL7863623SCHEMBL7873005SCHEMBL7875987AKOS009156550
Database identifiers
- CAS
3377-87-5- PubChem CID
- 18806
- DTXSID
DTXSID20871017- UNII
- AZ67PZ328N
- EC Number
- 222-174-9
- Nikkaji
- J97.468D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- Melting point
- -44.22 °C · -44.22°C (estimate)
- Boiling point
- 144 · 144-146°C
- Density
- 1 · 1,17 g/cm3
- refractive index
- 1.446 · 1.4460
- Flash point
- 46 °C · 46°C
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Water Solubility
- Insoluble in water.
- BRN
- 1718967 · 1718967
- CAS DataBase Reference
- 3377 · 3377-87-5(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Hexane, 3-bromo- (3377-87-5)
- Symbol(GHS)
- 2 · GHS02
- Signal word
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2903691990
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 23-24/25
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P261-P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexane, 3-bromo-: INACTIVE
Applications
Uses3-Bromohexane is used as a pharmaceutical intermediate.
Preparation methods
Preparation3-Bromohexane can be prepared by the hydrobromination of 3-hexene with the following reaction equation: H3CCH2(HC=CH)CH2CH3 + HBr → H3CCH2( HCBr-CH2)CH2CH3
Upstream & downstream products
Upstream raw materials
Suppliers34 total
梯希爱(上海)化成工业发展有限公司
Related reactions
1 records
Compound notes
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