Bis(2,2,2-trichloroethyl) azodicarboxylate - CAS 38857-88-4

Name: Bis(2,2,2-trichloroethyl) azodicarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023778
Product Name:	Bis(2,2,2-trichloroethyl) azodicarboxylate
CAS:	38857-88-4
Synonyms:	2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylimino)carbamate

Technical Data

IUPAC Name:	2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylimino)carbamate
Description:	Bis(2,2,2-trichloroethyl) azodicarboxylate (CAS# 38857-88-4) is a useful research chemical.
Molecular Weight:	380.82
Molecular Formula:	C6H4Cl6N2O4
Canonical SMILES:	C(C(Cl)(Cl)Cl)OC(=O)N=NC(=O)OCC(Cl)(Cl)Cl
InChI:	InChI=1S/C6H4Cl6N2O4/c7-5(8,9)1-17-3(15)13-14-4(16)18-2-6(10,11)12/h1-2H2
InChI Key:	LIEOEYTUTSDYKB-UHFFFAOYSA-N
Boiling Point:	380.7 °C at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.78 g/cm³
MDL:	MFCD00010607
LogP:	4.45220

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021078956-A1	Process for preparing elagolix sodium and intermediates thereof	20190918
WO-2021054896-A1	Process for preparing elagolix sodium and intermediates thereof	20190918
US-2020172555-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20181112
WO-2020102051-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20181112
TW-202033530-A	Methods of preparing cytotoxic benzodiazepine derivatives	20181112

PMID	Publication Date	Title	Journal
16209582	20051014	Stereoselective formation of carbon-carbon bonds via SN2-displacement: synthesis of substituted cycloalkyl[b]indoles	The Journal of organic chemistry
16010370	20050621	Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates	Organic & biomolecular chemistry

Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	379.827273
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	377.830223
Rotatable Bond Count:	4
Topological Polar Surface Area:	77.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	4.7