1,2,3-TRICHLOROPROPANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H5Cl3
Molecular Weight	147.431
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClCC(Cl)CCl

InChI

InChIKey=CFXQEHVMCRXUSD-UHFFFAOYSA-N

InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

HIDE SMILES / InChI

Molecular Formula	C3H5Cl3
Molecular Weight	147.431
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Successful therapy with hemoperfusion and plasma exchange in acute 1,2,3-trichloropropane poisoning.	2012-05	22045893
Exocrine pancreatic carcinogenesis and autotaxin expression.	2012	22952646
Application of transcriptional benchmark dose values in quantitative cancer and noncancer risk assessment.	2011-03	21097997
Acute 1,2,3-trichloropane poisoning: a case report and literature review.	2010-12	20825388
Free energies for degradation reactions of 1,2,3-trichloropropane from ab initio electronic structure theory.	2010-11-25	21038905
Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.	2010-09	20823547
Derivation of a reference dose and drinking water equivalent level for 1,2,3-trichloropropane.	2010-06	20303376
Comments on "Degradation of 1,2,3-trichloropropane (TCP): hydrolysis, elimination, and reduction by iron and zinc".	2010-04-15	20192163
Degradation of 1,2,3-trichloropropane (TCP): hydrolysis, elimination, and reduction by iron and zinc.	2010-01-15	20000732
Use of short-term transcriptional profiles to assess the long-term cancer-related safety of environmental and industrial chemicals.	2009-12	19776212
Dehalogenimonas lykanthroporepellens gen. nov., sp. nov., a reductively dehalogenating bacterium isolated from chlorinated solvent-contaminated groundwater.	2009-11	19625421
Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations.	2009-10-09	19577578
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate.	2009-10	19701186
Hexavalent chromium is carcinogenic to F344/N rats and B6C3F1 mice after chronic oral exposure.	2009-05	19479012
Isolation of novel bacteria within the Chloroflexi capable of reductive dechlorination of 1,2,3-trichloropropane.	2009-04	19396942
Effects of iron type in Fenton reaction on mineralization and biodegradability enhancement of hazardous organic compounds.	2009-01-30	18502575
Crystals of DhaA mutants from Rhodococcus rhodochrous NCIMB 13064 diffracted to ultrahigh resolution: crystallization and preliminary diffraction analysis.	2008-02-01	18259069
Quantitative structure-activity relationships for toxicity and genotoxicity of halogenated aliphatic compounds: wing spot test of Drosophila melanogaster.	2007-02	17113125
Sonolysis of chlorinated compounds in aqueous solution.	2007-02	16644261
Pressure-frozen 1,2,3-trichloropropane.	2006-12	17108662
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
The utility of the guppy (Poecilia reticulata) and medaka (Oryzias latipes) in evaluation of chemicals for carcinogenicity.	2006-07	16581948
Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling.	2006-06	17016745
NTP carcinogenesis studies of 2,2-bis(bromomethyl)-1,3-propanediol, nitromethane, and 1,2,3-trichloropropane (cas nos. 3296-90-0, 75-52-5, and 96-18-4) in guppies (Poecilia reticulata) and medaka (Oryzias latipes) (Waterborne Studies).	2005-10	16362062
Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.	2004-01-21	14737639
1,2,3-Trichloropropane.	2004	21089978
Longevity of granular iron in groundwater treatment processes: solution composition effects on reduction of organohalides and nitroaromatic compounds.	2003-03-15	12680677
Degradation of volatile hydrocarbons from steam-classified solid waste by a mixture of aromatic hydrocarbon-degrading bacteria.	2003-03	12882275
Use of the Japanese medaka (Oryzias latipes) and guppy (Poecilia reticulata) in carcinogenesis testing under national toxicology program protocols.	2003-02-25	12597435
1,2,3-Trichloropropane.	2002	15340997
Identification of mammary carcinogens in rodent bioassays.	2002	11921183
Haloalkane hydrolysis with an immobilized haloalkane dehalogenase.	2001-11-20	11668441
Point mutations of K-ras and H-ras genes in forestomach neoplasms from control B6C3F1 mice and following exposure to 1,3-butadiene, isoprene or chloroprene for up to 2-years.	2001-06-01	11397402
The effects of exposure route on DNA adduct formation and cellular proliferation by 1,2,3-trichloropropane.	1996-09	8806876
1,2,3-Trichloropropane: a multisite carcinogen in rats and mice.	1995-05	7665008
NTP Toxicology and Carcinogenesis of 1,2,3-Trichloropropane (CAS No. 96-18-4) in F344/N Rats and B6C3F1 Mice (Gavage Studies).	1993-08	12692652
Cardiopathic effect of 1,2,3-trichloropropane after subacute and subchronic exposure in rats.	1991-06	1918791
Evaluation of the subchronic and reproductive effects of a series of chlorinated propanes in the rat. I. Toxicity of 1,2,3-trichloropropane.	1988	3184199

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:34:53 GMT 2025` Edited by `admin` on `Mon Mar 31 20:34:53 GMT 2025`
Record UNII	3MJ7QCK0Z0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,3-TRICHLOROPROPANE

Systematic Name

English

NSC-35403

Preferred Name

English

PROPANE, 1,2,3-TRICHLORO-

Systematic Name

English

1,2,3-TRICHLOROPROPANE [IARC]

Common Name

English

1,2,3-TRICHLOROPROPANE [HSDB]

Common Name

English

GLYCERIN TRICHLOROHYDRIN

Systematic Name

English

TRICHLOROPROPANE, 1,2,3-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45386