1-Chloro-2-propanol

Base Information

• Chemical Name: 1-Chloro-2-propanol
• CAS No.: 127-00-4
• Deprecated CAS: 20008-07-5,68511-49-9,68584-59-8
• Molecular Formula: C3H7ClO
• Molecular Weight: 94.541
• Hs Code.: 2905590090
• European Community (EC) Number: 269-078-3,204-819-6,269-076-2,268-361-9
• NSC Number: 77373
• UN Number: 2611
• UNII: ZL0FUS96WW
• DSSTox Substance ID: DTXSID5020285
• Nikkaji Number: J2.936J
• Wikipedia: Propylene_chlorohydrin
• Wikidata: Q161602
• ChEMBL ID: CHEMBL1361129
• Mol file: 127-00-4.mol

Synonyms:1-chloro-2-propanol;1-chloro-2-propanol, (DL)-isomer

Chemical Property of 1-Chloro-2-propanol

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: 14.384mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 126.499 °C at 760 mmHg
• PKA: 14.09±0.20(Predicted)
• Flash Point: 54.541 °C
• PSA: 20.23000
• Density: 1.083 g/cm³
• LogP: 0.60600
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 94.0185425
• Heavy Atom Count: 5
• Complexity: 22.9
• Transport DOT Label: Poison Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Other Classes -> Halogenated Alcohols
• Canonical SMILES: CC(CCl)O

Technology Process of 1-Chloro-2-propanol

There total 59 articles about 1-Chloro-2-propanol 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: 80.0%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 2-chloro-1-propanol (78-89-7) + 1-Chloro-2-propanol (127-00-4)

Guidance literature:

With chlorourea; acetic acid;

Reference yield: 70.0%

methyloxirane (75-56-9,16033-71-9) → 2-chloro-1-propanol (78-89-7) + 1-Chloro-2-propanol (127-00-4)

Guidance literature:

With ammonium cerium(IV) nitrate; tri-n-butyl benzyl ammonium chloride; In acetonitrile; for 3h; Ambient temperature;

DOI:10.1080/00397919708003362

Reference yield: 8.0%

methyloxirane (75-56-9,16033-71-9) → 2-chloro-1-propanol (78-89-7) + allyl alcohol (107-18-6) + 1-Chloro-2-propanol (127-00-4)

Guidance literature:

With hydrogenchloride; In solid; at 60 - 70 ℃; for 7h; in tri-o-thymotide clathrate;

DOI:10.1016/S0040-4039(00)96597-3

upstream raw materials:

propylene glycol

propene

tert-butylhypochlorite

2-amino-1-chloropropane

Downstream raw materials:

1‐(pyrrolidin‐1‐yl)propan‐2‐ol

1-(piperidin-1-yl)propan-2-ol

4-(2-hydroxypropyl)morpholine

proxyphylline

Refernces

• 1、 Addy,Parker. "-". . p. 915,917. Retrieved 1963.
• 2、 Damin, B.,Garapon, J.,Sillion, B.. "A Convenient Synthesis of Chlorohydrins Using Chloramine T". . p. 362 - 363. Retrieved 1981.
• 3、 Izquierdo, Isidoro,Plaza, Maria T.,Rodriguez, Miguel,Tamayo, Juan. "Lipase-mediated partial resolution of 1,2-diol and 2-alkanol derivatives: Towards chiral building-blocks for pheromone synthesis". . p. 1749 - 1756. Retrieved 2000.
• 4、 Deng, Qiang,Deng, Shuguang,Gao, Ruijie,Li, Xiang,Tsang, Shik Chi Edman,Wang, Jun,Zeng, Zheling,Zou, Ji-Jun. "Hydrogen-Catalyzed Acid Transformation for the Hydration of Alkenes and Epoxy Alkanes over Co-N Frustrated Lewis Pair Surfaces". . p. 21294 - 21301. Retrieved 2021/12/17.
• 5、 Tavanti, Michele,Parmeggiani, Fabio,Castellanos, J. Rubén Gómez,Mattevi, Andrea,Turner, Nicholas J.. "One-Pot Biocatalytic Double Oxidation of α-Isophorone for the Synthesis of Ketoisophorone". . p. 3338 - 3348. Retrieved 2017/09/13.