3-CHLORO-1-PROPANETHIOL

Base Information

• Chemical Name: 3-CHLORO-1-PROPANETHIOL
• CAS No.: 17481-19-5
• Molecular Formula: C3H7 Cl S
• Molecular Weight: 110.608
• Hs Code.: 2930909090
• European Community (EC) Number: 241-496-0
• NSC Number: 64636
• UNII: N6Q6DV6SQL
• DSSTox Substance ID: DTXSID20169901
• Nikkaji Number: J287.063K
• Wikidata: Q83039702
• Mol file: 17481-19-5.mol

Synonyms:3-Chloro-1-propanethiol;3-Chloropropan-1-thiol; 3-Chloropropanethiol; 3-Chloropropyl mercaptan; NSC64636; g-Chloropropyl mercaptan

Chemical Property of 3-CHLORO-1-PROPANETHIOL

Chemical Property:

• Vapor Pressure: 5.02mmHg at 25°C
• Refractive Index: n20/D 1.4921(lit.)
• Boiling Point: 149.9°Cat760mmHg
• PKA: 10.04±0.10(Predicted)
• Flash Point: 43.3°C
• PSA: 38.80000
• Density: 1.068g/cm³
• LogP: 1.54510
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.9956991
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

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

3-Chloro-1-propanethiol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: C(CS)CCl

Technology Process of 3-CHLORO-1-PROPANETHIOL

There total 3 articles about 3-CHLORO-1-PROPANETHIOL 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:

thioacetic acid S-(3-chloropropyl) ester (13012-54-9) → 3-chloropropanethiol (17481-19-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

1.3-chlorobromopropane (109-70-6) → 3-chloropropanethiol (17481-19-5)

Guidance literature:

With ethanol; potassium hydrosulfide;

Reference yield:

→ 3-chloropropanethiol (17481-19-5)

Guidance literature:

DOI:10.1246/bcsj.47.1455

upstream raw materials:

thioacetic acid S-(3-chloropropyl) ester

1.3-chlorobromopropane

Downstream raw materials:

1-((4-chlorophenylthio)(phenyl)methylthio)-4-chlorobenzene

2-(4-methoxyphenylimino)-1,3-thiaselenane

3-(4-methoxyphenyl)-1,3-thiazinane-2-selenone

2-(4-methoxyphenylimino)-1,3-thiaselenane

Refernces

• 1、 Zheng, Tu-Cai,Burkart, Maureen,Richardson, David E.. "A general and mild synthesis of thioesters and thiols from halides". . p. 603 - 606. Retrieved 2007/10/03.