708976
Chloroform solution
NMR reference standard, 3% in acetone-d6 (99.9 atom % D)
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About This Item
Produtos recomendados
grau
NMR reference standard
Nível de qualidade
Formulário
solution
concentração
3% in acetone-d6 (99.9 atom % D)
técnica(s)
NMR: suitable
tamanho do tubo de RMN
5 mm × 7 in.
5 mm × 8 in.
cadeia de caracteres SMILES
ClC(Cl)Cl
InChI
1S/CHCl3/c2-1(3)4/h1H
chave InChI
HEDRZPFGACZZDS-UHFFFAOYSA-N
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Categorias relacionadas
Características e benefícios
1H line shape
Quantidade
5 mm O.D. tube contains 0.700 mL.
Palavra indicadora
Danger
Frases de perigo
Declarações de precaução
Classificações de perigo
Carc. 2 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - STOT RE 2 Oral - STOT SE 3
Órgãos-alvo
Central nervous system, Liver,Kidney
Perigos de suplementos
Código de classe de armazenamento
3 - Flammable liquids
Classe de risco de água (WGK)
WGK 3
Ponto de fulgor (°F)
1.4 °F
Ponto de fulgor (°C)
-17 °C
Equipamento de proteção individual
Eyeshields, Faceshields, Gloves
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Ilaria Massarelli et al.
European journal of medicinal chemistry, 44(9), 3658-3664 (2009-03-11)
A dataset comprising 55 chemicals with hepatocarcinogenic potency indices was collected from the Carcinogenic Potency Database with the aim of developing QSAR models enabling prediction of the above unwanted property for New Chemical Entities. The dataset was rationally split into
A Guerra et al.
European journal of medicinal chemistry, 45(3), 930-940 (2009-12-22)
A neural model based on a numerical molecular representation using CODES program to predict oral absorption of any structure is described. This model predicts both high and low-absorbed compounds with a global accuracy level of 74%. CODES/ANN methodology shows promising
Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
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