1,1-Dichloropropane

Base Information

• Chemical Name: 1,1-Dichloropropane
• CAS No.: 78-99-9
• Molecular Formula: C3H6Cl2
• Molecular Weight: 112.987
• European Community (EC) Number: 201-165-3
• ICSC Number: 0723
• UN Number: 1993,1992,1279
• UNII: SR71OVZ2OZ
• DSSTox Substance ID: DTXSID9058818
• Nikkaji Number: J4.226I
• Wikidata: Q2715351
• ChEMBL ID: CHEMBL2287704
• Mol file: 78-99-9.mol

Synonyms:1,1-DICHLOROPROPANE;78-99-9;Propylidene chloride;DICHLOROPROPANE;Propane, 1,1-dichloro-;R 270fb;Propylidene dichloride;alpha,alpha-Dichloropropane;alpha,alpha-Propylene dichloride;HSDB 5131;EINECS 201-165-3;UNII-SR71OVZ2OZ;SR71OVZ2OZ;BRN 1731152;1,1-Dichloropropane 100 microg/mL in Methanol;4-01-00-00195 (Beilstein Handbook Reference);Dichlorpropan;Propane dichloride;1,1-dichlorpropan;Propane, dichloro-;Dichloropropane, NOS;1,1-dichloro-propane;ethyl methylene chloride;DPB (CHRIS Code);Dichloropropane, 1,1-;SCHEMBL74614;1,1-Dichloropropane, 97%;UNII-B8X7551QF3;CHEMBL2287704;DTXSID9058818;HSDB 4341;PROPYLIDENE CHLORIDE [MI];1,1-DICHLOROPROPANE [HSDB];AKOS015913725;LS-119954;Q2715351

Chemical Property of 1,1-Dichloropropane

Chemical Property:

• Vapor Pressure: 78.3mmHg at 25°C
• Boiling Point: 88 °C(lit.)
• Flash Point: 45 °F
• PSA: 0.00000
• Density: 1.13 g/mL at 25 °C(lit.)
• LogP: 2.20010
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 111.9846556
• Heavy Atom Count: 5
• Complexity: 18.9
• Transport DOT Label: Combustible Liquid

Purity/Quality:

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

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CCC(Cl)Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.

Technology Process of 1,1-Dichloropropane

There total 14 articles about 1,1-Dichloropropane 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:

propane (74-98-6) + chlorine (7782-50-5) + tetraethyllead(IV) (78-00-2) → 1-Chloropropane (540-54-5) + isopropyl chloride (75-29-6) + 1,1-dichloropropane (78-99-9)

Guidance literature:

at 136 - 140 ℃; Product distribution;

Reference yield:

propane (74-98-6) + chlorine (7782-50-5) → 1-Chloropropane (540-54-5) + 1,1-dichloropropane (78-99-9) + 1,1,1-trichloropropane (7789-89-1) + 1,1,1,2-tetrachloropropane (812-03-3)

Guidance literature:

at 360 - 395 ℃;

Reference yield:

propane (74-98-6) + chlorine (7782-50-5) → 1-Chloropropane (540-54-5) + 1,1-dichloropropane (78-99-9) + 1,1,1-trichloropropane (7789-89-1) + 1,1,1,2-tetrachloropropane (812-03-3)

Guidance literature:

at 230 - 347 ℃;

DOI:10.1592/phco.21.7.731.34570

upstream raw materials:

propane

propionaldehyde

propenyl chloride

bromodichloromethane

Downstream raw materials:

1,1-difluoropropane

1-chloro-1-fluoro-propane

Ru(H)Cl(N₂)(P(C₆H₁₁)3)2

2-O-(2-chlorobenzyl)-D-threitol

Refernces

• 1、 Dneprovskii, A. S.,Mil'tsov, S. A.,Arbuzov, P. V.. "MECHANISMS OF FREE-RADICAL REACTIONS. XXIV. QUANTITATIVE DESCRIPTION OF THE POLAR EFFECTS OF SUBSTITUENTS ON THE KINETICS OF THE FREE-RADICAL CHLORINATION OF ALIPHATIC COMPOUNDS BY N-CHLOROPIPERIDINE". . p. 1826 - 1835. Retrieved 2007/10/02.
• 2、 Aver'yanov, V. A.,Zarytovskii, V. M.,Shvets, V. F.. "EFFECT OF o-DICHLOROBENZENE ON SELECTIVITY IN THE CHLORINATION OF CHLOROPROPANES". . p. 1487 - 1491. Retrieved 2007/10/02.