Chemical Properties of 1H-Benzotriazole, 1-(phenylmethyl)- (CAS 4706-43-8)

1H-Benzotriazole, 1-(phenylmethyl)-

InChI
InChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChI Key
OQVSPZZIBWDHOF-UHFFFAOYSA-N
Formula
C13H11N3
SMILES
c1ccc(Cn2nnc3ccccc32)cc1
Molecular Weight1
209.25
CAS
4706-43-8
Other Names
  • 1H-Benzotriazole, 1-benzyl-
  • 1-Benzylbenzotriazole
  • 1-Benzyl-1,2,3-benzotriazole
  • 1-Benzyl-1H-benzotriazole
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Physical Properties

Property Value Unit Source
ω 0.5526 Relay (1.0) Calculated Property
ΔfG° 472.56 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 454.24 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 94.99 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -2.65 Relay (1.0) Calculated Property
logPoct/wat 2.480 Crippen Calculated Property
McVol 161.290 ml/mol McGowan Calculated Property
Pc 4196.30 kPa Relay (1.0-beta) Calculated Property
Tboil 642.17 K Relay (1.0) Calculated Property
Tc 931.68 K Relay (1.0) Calculated Property
Tfus 347.11 K Relay (1.0) Calculated Property
Vc 0.633 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7-phenyl. «alpha»-Terpineol, 6-O-(«alpha»-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. Poligodial + Phe (methyl ester) adduct, (S). Poligodial + Phe (methyl ester) adduct, (R). Aflatoxin G2. GA5-13-O-«beta»-D-glucopyranoside, permethyl. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Mirtazapine-M (oxo-). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Aflatoxin B2. Inabenfide, N,O-bis(tert-butyldimethylsilyl)-. 5-(5-Methyl-2-furyl)-6-methyl-2,3-dihydro-1H-pyrrolizine. Mesoporphyrin-IX dimethyl ester, bis(trimethylsiloxy)silicon(IV) derivative.

Find more compounds similar to 1H-Benzotriazole, 1-(phenylmethyl)-.

Sources

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