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Merck
CN

30899

Supelco

1,2,3-Trichloropropane

certified reference material, TraceCERT®

Synonym(s):

Glycerol trichlorohydrin, Trichlorohydrin

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About This Item

Linear Formula:
CH2ClCHClCH2Cl
CAS Number:
96-18-4
Molecular Weight:
147.43
Beilstein:
1732068
EC Number:
202-486-1
MDL number:
MFCD00000946
UNSPSC Code:
41116107
PubChem Substance ID:
329753600

Key Documents

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grade

certified reference material
TraceCERT®

product line

TraceCERT®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.484 (lit.)

bp

156 °C (lit.)

mp

−14 °C (lit.)

density

1.387 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

storage temp.

2-8°C

SMILES string

ClCC(Cl)CCl

InChI

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

InChI key

CFXQEHVMCRXUSD-UHFFFAOYSA-N

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Application

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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Legal Information

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

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Carc. 1B - Eye Irrit. 2 - Muta. 2 - Repr. 1B - STOT RE 1 Inhalation

Target Organs

Kidney,Liver,Mucous membranes

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

165.2 °F - DIN 51758

Flash Point(C)

74 °C - DIN 51758

Regulatory Information

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Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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P Liu et al.
Human & experimental toxicology, 31(5), 523-527 (2011-11-03)
1,2,3-trichloropropane (1,2,3-TCP) is commonly used as an intermediate in pesticide and an industrial specialty solvent. Acute 1,2,3-TCP poisoning is rare but a medical emergency. Sporadic cases of toxic hepatic injury from 1,2,3-TCP in humans have been reported. Liver is a
Alena Stsiapanava et al.
Acta crystallographica. Section F, Structural biology and crystallization communications, 67(Pt 2), 253-257 (2011-02-09)
Haloalkane dehalogenases make up an important class of hydrolytic enzymes which catalyse the cleavage of carbon-halogen bonds in halogenated aliphatic compounds. There is growing interest in these enzymes owing to their potential use in environmental and industrial applications. The haloalkane
Alexandra J Salter-Blanc et al.
Environmental science & technology, 45(9), 4073-4079 (2011-04-14)
The reactivity of zerovalent zinc (ZVZ) toward 1,2,3-trichloropropane (TCP) was evaluated under a variety of solution conditions, including deionized water, groundwater, and artificial groundwater, over a pH range of about 6.5-12. In deionized water, first-order rate constants for TCP disappearance
Pavel Banás et al.
Journal of computer-aided molecular design, 20(6), 375-383 (2006-10-04)
1,2,3-Trichloropropane (TCP) is a highly toxic, recalcitrant byproduct of epichlorohydrin manufacture. Haloalkane dehalogenase (DhaA) from Rhodococcus sp. hydrolyses the carbon-halogen bond in various halogenated compounds including TCP, but with low efficiency (k (cat)/K (m )= 36 s(-1) M(-1)). A Cys176Tyr-DhaA
Martina Pavlova et al.
Nature chemical biology, 5(10), 727-733 (2009-08-25)
Engineering enzymes to degrade anthropogenic compounds efficiently is challenging. We obtained Rhodococcus rhodochrous haloalkane dehalogenase mutants with up to 32-fold higher activity than wild type toward the toxic, recalcitrant anthropogenic compound 1,2,3-trichloropropane (TCP) using a new strategy. We identified key
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