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T53805

Sigma-Aldrich

Trichloroacetonitrile

98%

Synonyme(s) :

Trichlorocyanomethane, Tritox

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About This Item

Formule linéaire :
Cl3CCN
Numéro CAS:
545-06-2
Poids moléculaire :
144.39
Beilstein:
605572
Numéro CE :
208-885-7
Numéro MDL:
MFCD00001842
Code UNSPSC :
12352117
ID de substance PubChem :
24900271
Nomenclature NACRES :
NA.22
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Pression de vapeur

58 mmHg ( 20 °C)

Niveau de qualité

200

Essai

98%

Indice de réfraction

n20/D 1.441 (lit.)

pb

83-84 °C (lit.)

Densité

1.44 g/mL at 25 °C (lit.)

Chaîne SMILES 

ClC(Cl)(Cl)C#N

InChI

1S/C2Cl3N/c3-2(4,5)1-6

Clé InChI

DRUIESSIVFYOMK-UHFFFAOYSA-N

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Application

Employed in a synthesis of trichloroacetimidates by DBU catalyzed addition of allylic alcohols and the subsequent study of the MOM catalyzed aza-Claisen rearrangement.[1] Also used to prepare bistrichloroacetimidates from diols leading to dihyrooxazines via acid catalyzed cyclization.[2]

Pictogrammes

Skull and crossbonesEnvironment
GHS06,GHS09

Mention d'avertissement

Danger

Mentions de danger

H301 + H311 + H331,H411

Classification des risques

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2

Code de la classe de stockage

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

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

165.2 °F

Point d'éclair (°C)

74 °C

Équipement de protection individuelle

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

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Certificats d'analyse (COA)

Lot/Batch Number
BCCL6364
BCCK7316
BCCJ6637
BCCF1453
BCCB5307

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4-Methoxybenzyl-2,2,2-trichloroacetimidate

Sigma-Aldrich

679585

4-Methoxybenzyl-2,2,2-trichloroacetimidate

Christophe Rondot et al.
Organic letters, 9(2), 247-250 (2007-01-16)
An efficient synthesis of chiral dihydrooxazines (2) from 1-aryl-2-amino-propane-1,3-diols (1) via the corresponding bistrichloroacetimidate intermediates has been developed. In this transformation, one trichloroacetimidate acts as a leaving group and the other acts as a nucleophile. The cyclization proceeds through an
Tetrahedron, 63, 2123-2123 (2007)
E L Lin et al.
Cancer letters, 62(1), 1-9 (1992-02-14)
Male Fisher 344 rats were administered 1- or 2-[14C]trichloroacetonitrile (TCAN) by oral gavage. DNA was isolated from the liver, kidneys and stomach and several protein fractions (globin, albumin and globulins) were isolated from blood. TCAN binds to both the DNA
M K Smith et al.
Teratology, 38(2), 113-120 (1988-08-01)
Trichloroacetonitrile (TCAN) is among a number of contaminants found in drinking water produced by reactions of chlorine with background organic material. Long-Evans rats were intubated with TCAN (0, 1, 7.5, 15, 35, 55 mg/kg) in a tricaprylin vehicle on gestation
Trichloroacetonitrile.
IARC monographs on the evaluation of carcinogenic risks to humans, 71 Pt 3, 1533-1537 (1999-09-07)
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Questions

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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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