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Merck
CN

45439

1,3-Dichloropropane

PESTANAL®, analytical standard

Synonym(s):

Trimethylene dichloride

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About This Item

Linear Formula:
Cl(CH2)3Cl
CAS Number:
142-28-9
Molecular Weight:
112.99
EC Number:
205-531-3
UNSPSC Code:
41116107
PubChem Substance ID:
329756734
Beilstein/REAXYS Number:
505960
MDL number:
MFCD00000999

Key Documents

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grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.448 (lit.)

bp

120-122 °C (lit.)

mp

−99 °C (lit.)

density

1.19 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

SMILES string

ClCCCCl

InChI

1S/C3H6Cl2/c4-2-1-3-5/h1-3H2

InChI key

YHRUOJUYPBUZOS-UHFFFAOYSA-N

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

96.8 °F - closed cup

flash_point_c

36 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

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R Rodriguez-Arnaiz
Environmental and molecular mutagenesis, 31(4), 390-401 (1998-07-08)
Biotransformation of several structurally related 2B compounds to reactive metabolites was evaluated in the somatic w/w+ assay of Drosophila melanogaster. Chemicals tested were the dichlorinated alkanes dichloromethane (DCM), 1,2-dichloroethane (DCE), and 1,3-dichloropropane (DCP); the thiouracil derivatives 5-methyl, 2-thiouracil (5M2TU), 6-methyl
1,3-Dichloropropene (technical grade).
Report on carcinogens : carcinogen profiles, 10, 91-93 (2004-08-25)
Biological effect monitoring.
C T Evelo et al.
Archives of toxicology. Supplement. = Archiv fur Toxikologie. Supplement, 15, 268-277 (1992-01-01)
D W Herr et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 35(1), 31-48 (1997-01-01)
Previous research showed that acute exposure to dichloromethane (DCM) produced a selective reduction in peak N30 of flash evoked potentials (FEPs) in rats. In contrast, acute exposures to p-xylene or toluene selectively reduced FEP peak N160. The present experiments compared
Daniel J Duffy et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 60(3), 659-671 (2004-01-30)
Ab initio calculations are reported for three of four possible conformers of 1,3-dichloropropane. The fourth conformer, with Cs symmetry, has a predicted enthalpy difference of more than 1500 cm(-1) from the most stable conformer from each calculation regardless of the
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