1,3-Dichloropropane

HCID 8881CAS 142-28-9

Basic information

Standard SMILES
ClCCCCl
InChIKey
YHRUOJUYPBUZOS-UHFFFAOYSA-N
Molecular formula
C3H6Cl2
Average molar mass
112.98 g/mol
Monoisotopic mass
111.98465555

Overview

1,3-dichloropropane is a colorless watery liquid with a sweet odor. Sinks in water. Produces irritating vapor. (USCG, 1999)

Names & identifiers

Preferred name
1,3-Dichloropropane
IUPAC
1,3-dichloropropane
English name
1,3-Dichloropropane
Molecular formula
C3H6Cl2
Molecular weight
112.99

Names & synonyms

1,3-DICHLOROPROPANE142-28-9Trimethylene dichloridePropane, 1,3-dichloro-R 270faAJ1HQ2GUCPDTXSID6022004NSC-6204DTXCID802004CHEBI:137978RefChem:72637205-531-3
Show more names
propylendichlorider270faNSC 62041.3-DichloroprAKOS BBS-000044061,3-Dichlorpropan1,3-dichloro-propan
1,3-Dichloro-propaneCH2ClCH2CH2ClCl(CH2)3ClMFCD00000999Trimethylene ChlorideCCRIS 9220HSDB 5482Dichloropropane, 1,3-

Database identifiers

CAS
142-28-9
PubChem CID
8881
DTXSID
DTXSID6022004
ChEMBL
CHEMBL157427
ChEBI
CHEBI:137978
UNII
AJ1HQ2GUCP
EC Number
205-531-3
Nikkaji
J2.543G

Properties

Computed structural properties

XLogP
2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
5

Experimental & physicochemical properties

SolventsSolvents -> Chlorinated Aliphatics
SpringerMaterials PropertiesSchoenflies notation
PesticidesVolatile Organic Compound (VOC) (Pesticide/Volatile Organic Compound (VOC))
LogP · 3 items

log Kow = 2.00

2.0

2.0

OdorSweet
Density · 4 items

1.1878 at 68 °F (USCG, 1999) - Denser than water; will sink

1.1876 @ 20 °C/4 °C

Relative density (water = 1): 1.19

1.1876 @25 °C

Physicochemical properties

Melting point
99 °C · −99 °C(lit.)
Boiling point
120 · 120-122 °C(lit.)
Density
1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
vapor pressure
24 · 24-24.265hPa at 20-25℃
refractive index
20 · n20/D 1.448(lit.)
Flash point
90 °F · 90 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.7% (1 of 141) of reports.

Danger

H225 (20.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 141 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 3 items

Chemical: Propane, 1,3-dichloro-

Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25727

1,3-Dichloropropane: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid
Fire Hazards · 2 items

Special Hazards of Combustion Products: Emits fumes of phosgene.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 16 °C explosive vapour/air mixtures may be formed.

Fire Potential · 2 items

Flammable

A very dangerous fire hazard when exposed to heat or flame.

Health HazardsINHALATION: May cause some central nervous system depression. EYES: May cause some pain and irritation. SKIN: Mild irritation. (USCG, 1999)
Hazards SummaryA skin, eye, and respiratory tract irritant; [ICSC] Inhalation of high concentrations can cause CNS depression, kidney, and liver injury; [HSDB] An irritant; [MSDSonline]

Safety & protection

Fire Fighting · 2 items

Fire Extinguishing Agents: Foam, carbon dioxide, dry chemical. (USCG, 1999)

Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 items

Fresh air, rest.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting.

First AidCall a doctor.
Safe StorageSeparated from food and feedstuffs, oxidants, acids, bases and alumina. Cool. Well closed. Keep in a well-ventilated room.
Firefighting HazardsFlash back along vapor trail may occur.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Toxicology

Body Burden1,3-Dichloropropane was identified, not quantified, in human adipose tissue(1).
Ecotoxicity Values · 5 items

LC50 Poecilia reticulata (guppy) 84 ppm/7 days

LC50 Cyprinodon variegatus (sheepshead minnow) 86,700 ug/l 96 hr

EC50 Selenastrum capricornutum 72,200 ug/l/96 hr Toxic Effect: Cell numbers

LC50 Daphnia magna (cladoceran) 282,000 ug/l 96 hr

For more Ecotoxicity Values (Complete) data for 1,3-DICHLOROPROPANE (7 total), please visit the HSDB record page.

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 290(SRC), determined from a log Kow of 2.0(2) and a regression-derived equation(3), indicates that 1,3-dichloropropane is expected to have moderate mobility in soil(SRC). Volatilization of 1,3-dichloropropane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 9.76X10-4 atm-cu m/mole(4). The potential for volatilization of 1,3-dichloropropane from dry soil surfaces may exist (SRC) based upon a vapor pressure of 18.2 mm Hg(5). Using a standard dilution method and a sewage seed inoculum, 1,3-dichloropropane achieved 16% of the theoretical BOD during a 5 day incubation period(6), suggesting biodegradation may occur in soil(SRC). The hydrolysis half-life of 1,3-dichloropropane is 2.3 years at pH 7 and 25 °C(7), suggesting hydrolysis will occur slowly in moist soils(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 290(SRC), determined from a log Kow of 2.0(2) and a regression-derived equation(3), indicates that 1,3-dichloropropane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 9.76X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hours and 4.5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC) from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low. The hydrolysis half-life of 1,3-dichloropropane is 2.3 years at pH 7 and 25 °C(7). Using a standard dilution method and a sewage seed inoculum, 1,3-dichloropropane achieved 16% of the theoretical BOD during a 5 day incubation period(8), suggesting biodegradation may occur in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-dichloropropane, which has a vapor pressure of 18.2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-dichloropropane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 21 days(SRC), calculated from its rate constant of 7.8X10-13 cu cm/molecule-sec at 25 °C(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 3 items

Dizziness.

Redness. Pain.

Redness. Pain.

Regulatory information

TSCA Requirements · 2 items

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Propane, 1,3-dichloro- is included on this list.

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.

CERCLA Reportable Quantities · 1 item

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1,000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act Requirements · 1 item

1,3-Dichloropropane is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
TX9660000
ridadr
UN 1993 3/PG 2
hs_code
29031990

Chemistry & industry

Uses & manufacturing

UsesNo known commercial production or sale in the US in 2000; [HSDB]
U.S. Production(1977) 4.5X10+8 G MIN-PROBABLY AS A BYPRODUCT
Consumption PatternsNo evidence of commercial prodn or sales of the isolated cmpd in USA in 2000.
Methods of ManufacturingMay be produced as a result of the photochlorination of isopropyl ether.
General Manufacturing Information · 3 items

Propane, 1,3-dichloro-: ACTIVE

PART OF DICHLOROPROPENE-DICHLOROPROPANE MIXT (PROBABLE USE)

Photochlorination of isopropyl ether leads to 1,3-dichloropropane.

Applications

Uses1,3-Dichloropropane is used as an intermediate in organic synthesis. It is also used as solvent, detergent and chromatographic analysis. Further, it is used to prepare 3,7-dithia-nonanedioic acid by reacting with mercaptoacetic acid.

General Description1,3-dichloropropane is a colorless watery liquid with a sweet odor. Sinks in water. Produces irritating vapor. (USCG, 1999)

Preparation methods · 1 item

Preparation1,3-Dichloropropane is obtained by the action of propylene glycol with hydrochloric acid.1,3-Dichloropropane synthesis: A process for the preparation of 1,3-dichloropropane by reacting bis(3-hydroxypropyl)ether with hydrogen chloride, optionally in the presence of tertiary basic nitrogen compounds or other tertiary aliphatic bases as catalysts, distilling off the 1,3-dichloropropane and the water of reaction and working up the two phases. Process for the preparation of 1,3-dichloropropane

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 1,3-dichloropropane is a chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. It has a role as an environmental contaminant and a nematicide. It is a chloroalkane and a chlorohydrocarbon.

Related reactions

47 records

Linked notes

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