Chloroform-[d] - CAS 865-49-6

Catalog:	BB037983
Product Name:	Chloroform-[d]
CAS:	865-49-6
Synonyms:	Deuterochloroform

Technical Data

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Computed Properties

Related CAS:	67-66-3 (unlabelled)
IUPAC Name:	trichloro(deuterio)methane
Description:	Labelled Chloroform, generally in trimethylsilane solution, used in NMR spectroscopy as a solvent. Unlabelled chloroform has been used an an anaesthetic due to its action on the central nervous system.
Molecular Weight:	120.38
Molecular Formula:	CDCl3
Canonical SMILES:	C(Cl)(Cl)Cl
InChI:	InChI=1S/CHCl3/c2-1(3)4/h1H/i1D
InChI Key:	HEDRZPFGACZZDS-MICDWDOJSA-N
Boiling Point:	60.9 ℃ (lit.)
Melting Point:	−64 ℃ (lit.)
Purity:	≥ 99 % (CP); ≥ 99.8 % atom D
Density:	1.500 g/mL at 25 ℃ (lit.)
Appearance:	Liquid
LogP:	1.98640

Publication Number	Title	Priority Date
WO-2015200870-A2	Methods for detecting and categorizing skin sensitizers	20140626
US-2015376546-A1	Tetrahydrofuran derivatives as fragrances	20140625
WO-2015198046-A1	1,3-substituted 2-aminoindole derivatives and analogues useful in the treatment or prevention of diabetes mellitus, obesity and inflammatory bowel disease	20140625
WO-2015200078-A1	Fatty acids and their use in conjugation to biomolecules	20140623
WO-2015200080-A1	Site specific protein modifications	20140623

PMID	Publication Date	Title	Journal
22823146	20120815	Development of singlet oxygen absorption capacity (SOAC) assay method. 3. Measurements of the SOAC values for phenolic antioxidants	Journal of agricultural and food chemistry
22584428	20120707	Role of p(Z)-π(Ar/Nap) conjugation in structures of 1-(arylchalcogena)naphthalenes for Z = Te versus Se, S and O: experimental and theoretical investigations	Dalton transactions (Cambridge, England : 2003)
22409878	20120312	Characterization of the antiproliferative activity of Xylopia aethiopica	Cell division
22191574	20120125	Controlling cesium cation recognition via cation metathesis within an ion pair receptor	Journal of the American Chemical Society
22080365	20120111	Solvent-solvent and solvent-solute interactions in a 3D chloroform clathrate with diorganotin macrocycles in the nano-sized pores	Chemical communications (Cambridge, England)

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GHS Hazard Statement:	H302 (93.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.920660
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	1
Monoisotopic Mass:	118.920660
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3