1-Bromopropane

Base Information

• Chemical Name: 1-Bromopropane
• CAS No.: 106-94-5
• Molecular Formula: C3H7Br
• Molecular Weight: 122.993
• Hs Code.: 2903399090
• European Community (EC) Number: 203-445-0
• ICSC Number: 1332
• UN Number: 2344
• UNII: Y9746DNE68
• DSSTox Substance ID: DTXSID6021874
• Nikkaji Number: J4.039H
• Wikipedia: 1-Bromopropane
• Wikidata: Q161589
• ChEMBL ID: CHEMBL1230095
• Mol file: 106-94-5.mol

Synonyms:1-BP, propane;1-bromopropane;n-propylbromide;propyl bromide

Chemical Property of 1-Bromopropane

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 133mmHg at 25°C
• Melting Point: -110 °C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 71.7 °C at 760 mmHg
• Flash Point: 25.6 °C
• PSA: 0.00000
• Density: 1.348 g/cm³
• LogP: 1.79130
• Water Solubility.: 2.5 g/L (20℃)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 121.97311
• Heavy Atom Count: 4
• Complexity: 7.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36/37/38:; R48/20:; R60:; R63:; R67:
• Safety Statements: S45:; S53:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: CCCBr
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. This may result in lowering of consciousness.
• Effects of Long Term Exposure: Animal tests show that this substance possibly causes toxicity to human reproduction or development.

Technology Process of 1-Bromopropane

There total 81 articles about 1-Bromopropane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.8%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → propyl bromide (106-94-5) + isopropyl bromide (75-26-3)

Guidance literature:

With hydrogen bromide; oxygen; at 20 - 23 ℃; for 4.5h; under 1551.49 - 1603.2 Torr;

Reference yield: 91.7%

dipropyl phenylarsonate (53720-59-5) + benzyl bromide (100-39-0) → propan-1-ol (71-23-8) + propyl bromide (106-94-5) + C16H19AsO3 (75099-95-5)

Guidance literature:

at 150 ℃; for 1.5h;

Reference yield: 74.5%

propyl diphenylarsinate (59260-94-5) + benzyl bromide (100-39-0) → propan-1-ol (71-23-8) + benzyl diphenylarsinate (64448-09-5) + propyl bromide (106-94-5) + C19H17AsO (75099-94-4)

Guidance literature:

at 185 ℃; for 1.5h; Further byproducts given;

upstream raw materials:

propan-1-ol

tri-n-propylamine

bromocyane

propene

Downstream raw materials:

4-propyl-morpholine

1-propyl-1H-imidazole

N-propylethane-1,2-diamine

2-butylpyridine

Refernces

• 1、 Majima, Tetsuro,Ishii, Tadahiro,Arai, Shigeyoshi. "The IR Photochemistry of Organic Compounds. II. The IR Photochemistry of Ethers: The Decomposition Patterns". . p. 1701 - 1709. Retrieved 1989.
• 2、 Vinnik, M. I.,Skakun, S. A.,Shelud'ko, A. B.. "KINETICS OF THE HYDROBROMINATION OF n-PROPYL ALCOHOL BY HYDROGEN BROMIDE IN AQUEOUS SOLUTIONS OF HBr WITH H2SO4 CONTAINING HIGH CONCENTRATION OF ALCOHOL". . p. 1582 - 1588. Retrieved 1983.
• 3、 Zongmu, Wang,Naifeng, Yang,Yusheng, Shen. "REACTIVITY OF ION PAIR AGGREGATES". . p. 2201 - 2202. Retrieved 1988.
• 4、 Hudson,Kelsall. "-". . p. 390. Retrieved 1967.
• 5、 Lacher et al.. "-". . p. 1125. Retrieved 1957.
• 6、 Burwell,Fuller. "". . p. 2332,2334. Retrieved 1957.
• 7、 Seetula, Jorma A.,Slagle, Irene R.. "Kinetics and thermochemistry of the R + HBr ? RH + Br (R = n-C3H7, isoC3H7, n-C4H9, isoC4H9, sec-C4H9 or tert-C4H9) equilibrium". . p. 1709 - 1719. Retrieved 1997.
• 8、 Vul'fson, S. G.,Dianova, O. M.,Vereshchagin, A. N.. "MOLAR COTTON-MOUTON CONSTANTS OF LIQUID HALOALKANES AND NONADDITIVITY OF THE CONFORMATIONAL ENERGIES OF METHYLATED CHLORO-, BROMO-, AND IODOPROPANES". . p. 959 - 963. Retrieved 1985.
• 9、 Chen, Jing,Zhou, Lei,Liu, Yi-Fan,Hou, Zhao-Wei,Li, Wei,Mbadinga, Serge Maurice,Zhou, Jing,Yang, Tao,Liu, Jin-Feng,Yang, Shi-Zhong,Wu, Xiao-Lin,Gu, Ji-Dong,Mu, Bo-Zhong. "Synthesis and mass spectra of rearrangement bio-signature metabolites of anaerobic alkane degradation via fumarate addition". . . Retrieved 2020/05/01.
• 10、 Dunsford, Jay J.,Tromp, Dorette S.,Cavell, Kingsley J.,Elsevier, Cornelis J.,Kariuki, Benson M.. "N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): Structural investigations and preliminary catalytic evaluation". . p. 7318 - 7329. Retrieved 2013/08/26.