Chemical Properties of Tranid (CAS 15271-41-7)

InChI

InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)

InChI Key

QCQPGRMMDFIQMB-UHFFFAOYSA-N

Formula

SMILES

CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2

Molecular Weight¹

241.67

CAS

15271-41-7

Other Names

(6Z)-5-Chloro-6-{[(methylcarbamoyl)oxy]imino}bicyclo[2.2.1]heptane-2-carbonitrile
2-Norbornanecarbonitrile, 5-chloro-6-oxo-, O-(methylcarbamoyl)oxime, (E)-endo-2,exo-5-
2-Norbornanone, exo-3-chloro-endo-6-cyano-, O-(methylcarbamoyl)oxime, (E)-
3-Chloro-6-cyano-2-norbornanone-O-(methylcarbamoyl)oxime, 3-exo, 6-endo, (E)-
3-Chloro-6-cyanonorbornanone-2 oxime O,N-methylcarbamate
3-exo-Chloro-E-6-endo-cyano-2-norbornanone-O-(methylcarbamoyl)oxime
5-Chloro-6-((((methylamino)carbonyl)oxy)imino)bicyclo(2.2.1)heptane-2-carbonitrile, (1S-(1«alpha»,2«beta»,4«alpha»,5«alpha»,6E))-
5-Chloro-6-((((methylamino)carbonyl)oxy)imino)bicyclo(2.2.1)heptane-2-carbonitrile, (1S-(1Â«alphaÂ»,2Â«betaÂ»,4Â«alphaÂ»,5Â«alphaÂ»,6E))-
5-Chloro-6-[[[(methylamino)carbonyl]oxy]imino]bicyclo[2.2.1]-heptane-2-carbonitrile
Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1S,2R,4R,5R,6E)-
Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, [1S-(1«alpha»,2«beta»,4«alpha»,5«alpha»,6E)]-
Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, [1S-(1Â«alphaÂ»,2Â«betaÂ»,4Â«alphaÂ»,5Â«alphaÂ»,6E)]-
ENT 25,962
exo-3-Chloro-endo-6-cyano-2-norbornanone O-(methylcarbamoyl)oxime
exo-5-Chloro-6-oxo-endo-2-norbornanecarbonitrile O-(methylcarbamoyl)oxime

Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-152.13	kJ/mol	Joback Calculated Property
Δ_vapH°	71.83	kJ/mol	Joback Calculated Property
log₁₀WS	-2.08		Aq. Sol...
logP_oct/wat	1.485		Crippen Calculated Property
McVol	166.760	ml/mol	McGowan Calculated Property
P_c	2289.32	kPa	Joback Calculated Property
T_boil	781.74	K	Joback Calculated Property
T_c	1014.71	K	Joback Calculated Property
T_fus	[430.60; 433.40]	K
T_fus	433.40 ± 0.20	K	NIST
T_fus	431.40 ± 0.20	K	NIST
T_fus	430.60 ± 0.20	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	26.07	kJ/mol	431.60	NIST

Similar Compounds

Find more compounds similar to Tranid.

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