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1-Bromo-1-butene, with the molecular formula C4H7Br, is a colorless liquid that exhibits a slightly sweet odor. It is an alkene, an unsaturated hydrocarbon, where the bromine atom is attached to the first carbon of the butene chain. Due to its flammable nature and potential for violent reactions with strong oxidizing agents, it requires careful handling and storage. Additionally, it is harmful if ingested, inhaled, or absorbed through the skin, and can cause irritation to the respiratory system, skin, and eyes.

31844-98-1

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Basic information
1. Product Name: 1-BROMO-1-BUTENE
2. Synonyms: 1-BROMO-1-BUTENE;TRANS-1-BROMO-1-BUTENE;1-bromo-1-buten;1-bromobut-1-ene;1-BROMO-1-BUTENE MIXTURE OF ISOMERS;1 - Bromo - 1 - butene (cis - trans)
3. CAS NO:31844-98-1
4. Molecular Formula: C₄H₇Br
5. Molecular Weight: 135
6. EINECS: 250-836-7
7. Product Categories: N/A
8. Mol File: 31844-98-1.mol
Chemical Properties
1. Melting Point: -115.07°C (estimate)
2. Boiling Point: 88.08°C (estimate)
3. Flash Point: 14.5 °C
4. Appearance: /
5. Density: 1.3119
6. Vapor Pressure: 53.4mmHg at 25°C
7. Refractive Index: 1.4530
8. Storage Temp.: N/A
9. Solubility: N/A
10. CAS DataBase Reference: 1-BROMO-1-BUTENE(CAS DataBase Reference)
11. NIST Chemistry Reference: 1-BROMO-1-BUTENE(31844-98-1)
12. EPA Substance Registry System: 1-BROMO-1-BUTENE(31844-98-1)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 31844-98-1(Hazardous Substances Data)

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31844-98-1 Usage

Uses

Used in Organic Synthesis:
1-Bromo-1-butene is utilized as a reagent in organic synthesis for the preparation of various organic compounds. Its unique structure allows for versatile reactions, making it a valuable component in the synthesis process.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 1-bromo-1-butene serves as a starting material for the synthesis of different pharmaceuticals. Its properties enable the creation of a wide range of medicinal compounds, contributing to the development of new drugs and treatments.
Used in Agrochemical Production:
1-Bromo-1-butene is also employed in the production of agrochemicals, where it acts as a precursor for the synthesis of various agricultural chemicals. Its role in this industry is crucial for the development of effective pest control agents and other agricultural products.

Check Digit Verification of cas no

The CAS Registry Mumber 31844-98-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,8,4 and 4 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 31844-98:
(7*3)+(6*1)+(5*8)+(4*4)+(3*4)+(2*9)+(1*8)=121
121 % 10 = 1
So 31844-98-1 is a valid CAS Registry Number.

InChI:InChI=1/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3

31844-98-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	1-BROMO-1-BUTENE

1.2 Other means of identification

Product number	-
Other names	1-bromobut-1-ene

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:31844-98-1 SDS

31844-98-1Synthetic route

: 626-98-2, 13991-37-2, 16666-42-5
pent-2-enoic acid

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions	Yield
With [bis(acetoxy)iodo]benzene; tetraethylammonium bromide In dichloromethane at 20℃; for 10h;	90%

2.3-dibromo-n-valeric acid: 2.3-dibromo-n-valeric acid

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B α-bromo-β-ethyl-acrylic acid: α-bromo-β-ethyl-acrylic acid

Conditions	Yield
With pyridine

: 79912-57-5
acide dibromo-2,3 pentanoique

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B: 98021-78-4
2-bromo-pent-2-enoic acid

Conditions	Yield
With pyridine

: 3675-68-1
butane, 1,1,2-tribromo-

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions	Yield
With ethanol; zinc higher-boiling 1-bromo-butene-(1);
With ethanol; zinc lower-boiling 1-bromo-butene-(1);

: 123-72-8
butyraldehyde

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions	Yield
With phosphorus trichloride dibromide; sodium ethanolate

: 533-98-2, 130232-89-2, 130232-90-5
1,2-dibromobutane

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B higher-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1): higher-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1)

Conditions	Yield
With ethanol; sodium phenoxide man trennt das Isomeren-Gemisch durch fraktionierte Destillation mit Alkohol, Zerlegung der erhaltenen Azeotropen mit Wasser und nochmalige Destillation; lower-boiling 1-bromo-butene-(1);

: 533-98-2, 130232-89-2, 130232-90-5
1,2-dibromobutane

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B lower-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1): lower-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1)

Conditions	Yield
With ethanol; sodium phenoxide man trennt das Isomeren-Gemisch durch fraktionierte Destillation mit Alkohol, Zerlegung der erhaltenen Azeotropen mit Wasser und nochmalige Destillation; higher-boiling 1-bromo-butene-(1);

: 13991-37-2
trans-2-pentenoic acid

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions	Yield
(i) Br2, (UV-irradiation), (ii) (heating in Py); Multistep reaction;

: 110-86-1
pyridine

: 79912-57-5
acide dibromo-2,3 pentanoique

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B 2-bromo-Δ2-pentenoic acid: 2-bromo-Δ2-pentenoic acid

: 75-16-1
methylmagnesium bromide

: 627-15-6
1,3-dibromopropene

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions	Yield
higher-boiling 1-bromo-butene-(1);

: 123-72-8
butyraldehyde

PCl3Br2: PCl3Br2

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions	Yield
Behandeln des Reaktionsprodukts mit Natriumaethylat;

: 2482-57-7
1-bromo-2-butanol

phosphorus pentoxide: phosphorus pentoxide

A: 4784-77-4, 29576-14-5, 39616-19-8
(E/Z)-crotyl bromide

B: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 60-29-7
diethyl ether

: 75-16-1
methylmagnesium bromide

: 627-15-6
1,3-dibromopropene

A: 34557-54-5
methane

B: 31844-98-1
(E)/(Z)-1-bromo-1-butene

C: 74-84-0
ethane

D: 106-99-0
buta-1,3-diene

Conditions	Yield
Produkt5: Octadien-(2.6);

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 125975-53-3, 147220-48-2, 116996-54-4
(2S)-O-(tert-butyldiphenylsilyl)-1,2-epoxybutan-4-ol

: (R)-1-((tert-butyldiphenylsilyl)oxy)oct-7-en-3-ol

Conditions	Yield
Stage #1: (E)/(Z)-1-bromo-1-butene With magnesium; ethylene dibromide In tetrahydrofuran Grignard Reaction; Reflux; Inert atmosphere; Stage #2: (2S)-O-(tert-butyldiphenylsilyl)-1,2-epoxybutan-4-ol With copper(l) iodide In tetrahydrofuran at -78 - 0℃; for 1.08333h; Cooling with acetone-dry ice;	99%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1776-30-3, 25515-43-9
2',4'-dihydroxychalcone

: C19H18O3

Conditions	Yield
With potassium carbonate In acetone at 25 - 30℃; Irradiation;	87.5%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1776-30-3, 25515-43-9
2',4'-dihydroxychalcone

: C23H24O3

Conditions	Yield
With potassium carbonate In acetonitrile at 25 - 30℃; Irradiation;	85.6%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 30043-41-5
(hex-5-enyl)magnesium bromide

: 92230-34-7
deca-3,9-diene

Conditions	Yield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 30℃;	79.5%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1066-54-2
trimethylsilylacetylene

: 60216-44-6
(E)-1-trimethylsilyl-3-hexen-1-yne

Conditions	Yield
Stage #1: trimethylsilylacetylene With ethylmagnesium bromide In tetrahydrofuran at 65℃; for 1h; Substitution; Stage #2: With zinc(II) chloride In tetrahydrofuran at 20℃; for 0.5h; Transmetallation; Stage #3: (E)/(Z)-1-bromo-1-butene; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 58h; Cross-coupling;	66%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 927-77-5
n-propylmagnesium bromide

: 14686-14-7
trans-3-heptene

Conditions	Yield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 30℃;	61%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 34164-50-6
4-penten-1-ylmagnesium bromide

: 60024-69-3
trans nona-1,3-diene

Conditions	Yield
palladium dichloride In tetrahydrofuran at 30℃;	57%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 7348-75-6
3,5-Octadiene

Conditions	Yield
With [2,2]bipyridinyl; (2,2'-bipyridine)nickel(II) dibromide In various solvent(s) at 20℃; electrochemical reaction, magnesium anode, gold gauze cathode, -1,2 V;	50%

: 64-18-6
formic acid

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 13991-37-2
trans-2-pentenoic acid

Conditions	Yield
With palladium diacetate; acetic anhydride; triethylamine; 1,4-di(diphenylphosphino)-butane In N,N-dimethyl-formamide at 100℃; Inert atmosphere; Schlenk technique;	39%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 107-00-6
but-1-yne

Conditions	Yield
With potassium hydroxide; ethanol at 180℃;

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1,1,2-tribromo-3-methoxy-propane

Conditions	Yield
With bromine

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 24863-41-0
tris(1-butenyl)boroxine

Conditions	Yield
(i) Mg, (ii) B(OMe)3, (iii) phenothiazine; Multistep reaction;

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 29444-46-0
2-methyl-6-n-propylpyrazine

A: 83568-49-4
cis-3-methyl-5-n-propyl-2-(1-butenyl)-pyrazine

B: 83568-51-8
trans-3-methyl-5-n-propyl-2-(1-butenyl)-pyrazine

C: 83568-47-2
cis-5-methyl-3-n-propyl-2-(1-butenyl)-pyrazine

D: 83568-50-7
trans-5-methyl-3-n-propyl-2-(1-butenyl)-pyrazine

Conditions	Yield
With tert.-butyl lithium In tetrahydrofuran; diethyl ether; pentane 1.) -78 deg C, 15 min; 2.) r.t., 20 min; Title compound not separated from byproducts;

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 53596-78-4
11-dodecyn-1-yl acetate

A: 78617-58-0
(Z)-13-hexadecene-11-yn-1-yl acetate

B: 78617-59-1
(E)-13-hexadecene-11-yn-1-yl acetate

Conditions	Yield
With propylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) 1.) benzene, 2.) 16 h, RT; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 67-66-3
chloroform

: 7726-95-6
bromine

: 3675-68-1
butane, 1,1,2-tribromo-

Conditions	Yield
lower-boiling 1-bromo-butene-(1);
higher-boiling 1-bromo-butene-(1);

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 7726-95-6
bromine

1-bromo-butene-(1) higher-boiling form: 1-bromo-butene-(1) higher-boiling form

Conditions	Yield
am Sonnenlicht; Gleichgewicht.Irradiation; lower-boiling 1-bromo-butene-(1);

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

alcoholic KOH-solution: alcoholic KOH-solution

A: 107-00-6
but-1-yne

B: 10035-10-6, 12258-64-9
hydrogen bromide

Conditions	Yield
at 120 - 125℃; lower-boiling 1-bromo-butene-(1);
at 120 - 125℃; higher-boiling 1-bromo-butene-(1);

31844-98-1Upstream product

31844-98-1Downstream Products

31844-98-1Relevant academic research and scientific papers

Novel system for decarboxylative bromination of α,β-unsaturated carboxylic acids with diacetoxyiodobenzene

Fursule, Ravindra Abhykumar,Patil, Pravin Onkar,Shewale, Bharti Devaji,Kosalge, Satish Bhaskar,Deshmukh, Prashant Krishnarao,Patil, Dilip Ashok

experimental part, p. 1243 - 1245 (2010/08/06)

A simple and mild method for the conversion of varieties of α,β-unsaturated carboxylic acids to the corresponding bromoalkenes using diacetoxyiodobenzene (IBD) in combination with tetraethyl-ammonium bromide (TEAB) at room temperature is discussed. Advantages of this system are short reaction time, easy work up and gave good to excellent yields.

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