(3-Bromopropyl)phosphonic Acid

Base Information

• Chemical Name: (3-Bromopropyl)phosphonic Acid
• CAS No.: 1190-09-6
• Molecular Formula: C₃H₈BrO₃P
• Molecular Weight: 202.972
• Hs Code.: 2931900090
• European Community (EC) Number: 678-016-8
• DSSTox Substance ID: DTXSID30402578
• Nikkaji Number: J534.021G
• Wikidata: Q82206001
• Mol file: 1190-09-6.mol

Synonyms:(3-Bromopropyl)phosphonic Acid;1190-09-6;3-bromopropylphosphonic Acid;(3-BROMOPROPYL)PHOSPHONICACID;Phosphonic acid, P-(3-bromopropyl)-;Phosphonic acid, (3-bromopropyl)-;Phosphonic acid,(3-bromopropyl)-(6ci,7ci,8ci,9ci);3-Bromopropanephosphonic Acid;Phosphonic acid,(3-bromopropyl)- (6CI,7CI,8CI,9CI);SCHEMBL635339;DTXSID30402578;AMY31193;MFCD00191385;(3-Bromopropyl)phosphonic acid, 97%;AKOS015965585;AS-62185;B1591;CS-0321232;FT-0604701;T70133

Chemical Property of (3-Bromopropyl)phosphonic Acid

Chemical Property:

• Vapor Pressure: 6.98E-06mmHg at 25°C
• Melting Point: 110.0 to 114.0 °C
• Boiling Point: 351.5°Cat760mmHg
• PKA: 2.32±0.10(Predicted)
• Flash Point: 166.4°C
• PSA: 67.34000
• Density: g/cm³
• LogP: 0.94910
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.93944
• Heavy Atom Count: 8
• Complexity: 98.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3-Bromopropyl)phosphonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 24/25-36/39-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CP(=O)(O)O)CBr
• Uses: (3-Bromopropyl)phosphonic Acid is a reagent used in the synthesis of amino-substituted aromatic and aliphatic phosphonic acid.

Technology Process of (3-Bromopropyl)phosphonic Acid

There total 4 articles about (3-Bromopropyl)phosphonic Acid 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: 96.0%

diethyl 3-(bromopropyl)phosphonic acid (1186-10-3) → 3-bromopropane-1-phosphonic acid (1190-09-6)

Guidance literature:

With trimethylsilyl bromide; In acetonitrile; at 40 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.06.126

Reference yield:

1,3-dibromo-propane (109-64-8) + triethyl phosphite (122-52-1) → 3-bromopropane-1-phosphonic acid (1190-09-6)

Guidance literature:

at 150 ℃; Hydrolyse des gebildeten 3-Brom-propylphosphonsaeure-diaethylesters mit wss.HBr;

DOI:10.1021/ja01237a028

Reference yield:

bis(trimethylsilyl) (3-bromopropyl)phosphonate (118559-23-2) → 3-bromopropane-1-phosphonic acid (1190-09-6)

Guidance literature:

With water;

DOI:10.1016/S0960-894X(01)00075-0

upstream raw materials:

1,3-dibromo-propane

triethyl phosphite

diethyl 3-(bromopropyl)phosphonic acid

bis(trimethylsilyl) (3-bromopropyl)phosphonate

Downstream raw materials:

(3-bromopropyl)phosphonic dichloride

(3-anilino-propyl)-phosphonic acid