Basic information
- Standard SMILES
C=CCCCCBr- InChIKey
RIMXEJYJXDBLIE-UHFFFAOYSA-N- Molecular formula
- C6H11Br
- Average molar mass
- 163.06 g/mol
- Monoisotopic mass
- 162.00441245
Names & identifiers
- Preferred name
- 6-Bromo-1-hexene
- IUPAC
- 6-bromohex-1-ene
- English name
- 6-Bromo-1-hexene
- Molecular formula
- C6H11Br
- Molecular weight
- 163.06
Names & synonyms
6-Bromo-1-hexene2695-47-86-Bromohex-1-ene5-Hexenyl bromide1-Hexene, 6-bromo-1-Bromo-5-hexene6-Bromohexene6-bromo-hex-1-ene6-bromo-hexeneMFCD00000269EINECS 220-267-91-Bromo-5-hexene; 5-Hexen-1-yl Bromide; 5-Hexenyl Bromide; 6-Bromo-1-hexene
Show more names
Bromohexene-BroMo-1-hexene1-Hexene,6-bromo-Bromo-1-hexene,6-
l-bromo-5-hexene6-bromo-1-hexen1-bromohex-5-enebromo(6-)-1-hexene5-Hexen-1-yl bromideAB1011877Z28AT4BT8S6-Bromo-1-hexene, 95%
Database identifiers
- CAS
2695-47-8- PubChem CID
- 75906
- DTXSID
DTXSID6062595- UNII
- Z28AT4BT8S
- EC Number
- 220-267-9
- Nikkaji
- J97.486B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -102.35 °C · -102.35°C (estimate)
- Boiling point
- 47 · 47-51 °C/16 mmHg (lit.)
- Density
- 1.22 g/mL · 1.22 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4652(lit.)
- Flash point
- 126 °F · 126 °F
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear slightly yellow
- Specific Gravity
- 1.217 · 1.217
- Water Solubility
- Not miscible in water.
- BRN
- 506203 · 506203
- Stability
- Stable. Incompatible with strong oxidizing agents, strong bases. Flammable.
- InChI
- 1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2
- InChIKey
- RIMXEJYJXDBLIE-UHFFFAOYSA-N
- SMILES
- BrCCCCC=C
- CAS DataBase Reference
- 2695 · 2695-47-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-Hexene, 6-bromo-(2695-47-8)
- EPA Substance Registry System
- 1 · 1-Hexene, 6-bromo- (2695-47-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335-H360D
- Precautionary statements
- 202 · P202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,F,T
- Risk Statements
- 10 · 10-36/37/38-61
- Safety Statements
- 26 · 26-36-37/39-16-45-53
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- F
- 8 · 8
- Hazard Note
- Flammable/Irritant
- TSCA
- TSCA listed
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Repr. 1BSkin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Allyl iodide and Allyl bromide. See 3,4-Dichloro-1-butene and 3-Chloro-2-methyl-1-propene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29039990
- risk_code
- 10-36/37/38-61
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- Xi,F,T
- hazard_note
- Flammable/Irritant
- safety_code
- 26-36-37/39-16-45-53
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335-H360D
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Repr. 1BSkin Irrit. 2STOT SE 3
- Precautionary statements
- P202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexene, 6-bromo-: ACTIVE
Applications
Uses6-Bromo-1-hexene was used in the preparation of epoxide, 6-bromo-1,2-epoxyhexane. It was also used in a simple, direct preparation of 4-alkenylbenzonitriles via anionic reduced forms of terephthalonitrile in liquid ammonia.
General DescriptionReaction of 6-bromo-1-hexene with Mg to form Grignard compounds has been investigated. The thermal chemistry of 6-bromo-1-hexene on Ni (100) surface has been studied under ultrahigh vacuum conditions by X-ray photoelectron spectroscopy and temperature-programmed desorption.
Upstream & downstream products
Upstream raw materials
Downstream products
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