Basic information
- CAS
1119-51-3- Standard SMILES
C=CCCCBr- InChIKey
LPNANKDXVBMDKE-UHFFFAOYSA-N- Molecular formula
- C5H9Br
- Average molar mass
- 149.03 g/mol
- Monoisotopic mass
- 147.98876239
Names & identifiers
- Preferred name
- 1-Pentene, 5-bromo-
- IUPAC
- 5-bromopent-1-ene
- English name
- 5-Bromo-1-pentene
- Molecular formula
- C5H9Br
- Molecular weight
- 149.03
Names & synonyms
5-Bromo-1-pentene1119-51-35-Bromopent-1-ene1-Pentene, 5-bromo-EINECS 214-281-4DTXSID70615125Bromopent1ene1Pentene, 5bromoRefChem:435416DTXCID6033249214-281-4InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H
Show more names
5c3-Pentenylbromide5-bC5H9Br5-bromo-1-penten-Bromo-1-pentene5-BROMOPENTENE-1
1-Bromo-4-pentene4-Pentenyl bromide5-Bromopentene5-bromo-pent-1-eneMFCD000002641-Bromo-4-pentene; 4-Pentenyl Bromide;5-bromo-pentenePent-4-enyl bromide
Database identifiers
- CAS
1119-51-3- PubChem CID
- 70704
- DTXSID
DTXSID7061512- UNII
- 52KT8WE89J
- EC Number
- 214-281-4
- Nikkaji
- J97.476E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -106.7 °C · -106.7°C (estimate)
- Boiling point
- 126 · 126-127 °C/765 mmHg (lit.)
- Density
- 1.258 g/mL · 1.258 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.463(lit.)
- Flash point
- 30 °C · 30 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate
- form
- Oil
- color
- Clear Colourless
- Specific Gravity
- 1.258 · 1.258
- Water Solubility
- Immiscible with water.
- BRN
- 506077 · 506077
- InChI
- 1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2
- InChIKey
- LPNANKDXVBMDKE-UHFFFAOYSA-N
- SMILES
- BrCCCC=C
- CAS DataBase Reference
- 1119 · 1119-51-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-Pentene, 5-bromo-(1119-51-3)
- EPA Substance Registry System
- 1 · 1-Pentene, 5-bromo- (1119-51-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-24/25-16
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29033036 · 29033036
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- 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 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19865
5-Bromo-1-pentene: Does not have an individual approval but may be used under an appropriate group standard
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
- 29033036
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-24/25-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Pentene, 5-bromo-: ACTIVE
Applications
Description5-Bromo-1-pentene is an organic compound with a molecular weight of 149.03. The formula of this compound is C5H9Br. It is a colorless, transparent liquid. The molecular structure of this molecule contains both double bonds and bromine atoms, giving it the properties of olefins and halogenated hydrocarbons. It serves as the starting material for the synthesis of DL-histrionicotoxin and phenyl-ketone fatty acids. Additionally, it is a fundamental chemical and pharmaceutical intermediate, finding wide applications in the fields of medicine, pesticides, and material chemistry.
Uses5-Bromo-1-pentene is widely utilized in the stereoselective synthesis of 7alpha-(3-carboxypropyl) estradiol. It plays an important role as starting material in the synthesis of a variety of compounds including DL-histrionicotoxin and benzophenone containing fatty acids.
Upstream & downstream products
Downstream products
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Related reactions
174 records
Compound notes
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