3D Mol Similar

5-Bromo-1-pentene

: Iupac Name：5-bromopent-1-ene; CAS No.: 1119-51-3; Molecular Weight：149.031; Modify Date.: 2022-11-06 11:30; Introduction:
5-Bromo-1-pentene, with the chemical formula C5H9Br and CAS registry number 1119-51-3, is a compound known for its applications in organic synthesis. This colorless liquid, also referred to as 1-Pentene, 5-bromo-, is characterized by its bromine functional group. It is commonly used as a starting material for the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. 5-Bromo-1-pentene is also used as a reagent in the preparation of polymers and as a building block in the production of specialty chemicals. It is important to handle this compound with caution, as it is flammable and may cause skin and eye irritation. Overall, 5-Bromo-1-pentene plays a crucial role in the field of organic chemistry, offering a versatile platform for the introduction of bromine into different molecules.
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1. Names and Identifiers

: 1.1 Name; 5-Bromo-1-pentene; 1.2 Synonyms; 1-Bromo-4-pentene 1-Pentene, 5-bromo- 1-pentene,5-bromo- 2-Pentene,5-bromo- 3-Pentenylbromide 4-Pentenyl bromide 4-Pentenylbromide 5-bromo-1-penten

1.3 CAS No.: 1119-51-3

1.4 CID: 70704

1.5 EINECS(EC#): 214-281-4

1.6 Molecular Formula: C5H9Br (isomer)

1.7 Inchi: InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2

1.8 InChIkey: LPNANKDXVBMDKE-UHFFFAOYSA-N

1.9 Canonical Smiles: C=CCCCBr

1.10 Isomers Smiles: C=CCCCBr

2. Properties

2.1 Density: 1.258

2.1 Melting point: -106.7°C (estimate)

2.1 Boiling point: 126-127℃ (765 mmHg)

2.1 Refractive index: 1.462-1.465

2.1 Flash Point: 30℃

2.1 Precise Quality: 147.98900

2.1 PSA: 0.00000

2.1 logP: 2.34750

2.1 Appearance: clear colourles to yellow liquid

2.2 Storage: Keep Cold.

2.3 Chemical Properties: Clear colorless to yellow liquid

2.4 Water Solubility: Insoluble

2.5 Stability: Stable under normal temperatures and pressures.

2.6 StorageTemp: 2-8°C

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R10;R36/37/38

3.1 Safety Statements: S16;S24/25

3.1 Packing Group: II

3.1 Hazard Class: 3

3.1 RIDADR: UN 1993

3.1 WGK Germany: 3

3.1 Safety: Safty information about 5-Bromo-1-pentene (CAS NO.1119-51-3) is:
Hazard Codes: Xi
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-24/25-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24/25:Avoid contact with skin and eyes.
S16:Keep away from sources of ignition.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
F: 8
HazardClass: 3
PackingGroup: II
HS Code: 29033036

3.2 Specification: 5-Bromo-1-pentene , its cas register number is 1119-51-3. It also can be called 1-Bromo-4-pentene ; 5-Bromopent-1-ene ; 1-Pentene, 5-bromo- .It is a clear colorless to yellow liquid.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H226 Flammable liquid and vapour H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

1119-51-3Total: 14 Synthesis Route

97-99-4 167 Suppliers

1119-51-3 173 Suppliers

Literatures:
Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 23, # 3 p. 238 - 240
Yield: null

821-09-0 72 Suppliers

1119-51-3 173 Suppliers

Literatures:
Tetrahedron, , vol. 60, # 48 p. 10943 - 10948
Yield: ~82%

111-24-0 199 Suppliers

1119-51-3 173 Suppliers

Literatures:
Tetrahedron, , vol. 60, # 48 p. 10943 - 10948
Yield: ~66%

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6. Precursor and Product

precursor:

97-99-4

821-09-0

1192-30-9

106-93-4

19300-54-0

100606-66-4

626-87-9

591-93-5

3003-84-7

28885-22-5

110-86-1

7789-60-8

64841-44-7

1576-85-8

111-24-0

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product :

1588-44-9

2396-80-7

4988-33-4

5312-86-7

407-79-4

3664-60-6

2446-69-7

4259-00-1

590-66-9

1002-35-3

7270-50-0

932-44-5

551-45-1

2623-87-2

3884-71-7

4475-07-4

4040-74-8

504-60-9

7766-48-5

96-47-9

765-48-0

1130-21-8

765-38-8

5222-53-7

2570-90-3

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7. Other Information

7.0 BRN: 506077

7.1 Chemical Properties: Clear colorless to yellow liquid

7.2 Usage: 5-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.

8. Computational chemical data

Molecular Weight: 149.031g/mol
Molecular Formula: C₅H₉Br
Compound Is Canonicalized: True
XLogP3-AA: 2.4
Exact Mass: 147.98876
Monoisotopic Mass: 147.98876
Complexity: 32.9
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 6
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGABAAAABSACAAAAAAAAAAACAACBCAAAAAAAgAAAIAAAAACgAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Question & Answer

What is 5-Bromo-1-pentene and how is it used in the chemical industry? Feb 19 2023
5-Bromo-1-pentene is a colorless and transparent liquid with a molecular structure that contains both double bonds and bromine atoms. It exhibits the properties of both alkenes and halogenated hydroca..
What is 5-Bromo-1-pentene and how is it prepared? Oct 27 2021
5-Bromo-1-pentene is an organic compound with the chemical formula C5H9Br, commonly used as a reagent in organic synthesis. Preparation 5-Bromo-1-pentene can be synthesized by the reaction of 4-penten..

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5-Bromo-1-pentene CAS1119-51-3