Chemical Properties of Chlorsulfuron (CAS 64902-72-3)

InChI

InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)

InChI Key

VJYIFXVZLXQVHO-UHFFFAOYSA-N

Formula

SMILES

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1

Molecular Weight¹

357.77

CAS

64902-72-3

Other Names

Benzenesulfonamide, 2-chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-
Urea, 1-((o-chlorophenyl)sulfonyl)-3-(4-methoxy-6-methyl-s-triazin-2-yl)-
2-Chloro-N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)aminocarbonyl)-benzenesulfonamide
1-((o-Chlorophenyl)sulfonyl)-3-(4-methoxy-6-methyl-s-triazin-2-yl)urea
Chlorsulfon
Glean
Glean 20FF
Telar
2-[(([(2-Chlorophenyl)sulfonyl]amino)carbonyl)amino]-4-methoxy-6-methyl-1,3,5-triazine
DPX 4189
Tuligen
79793-04-7 (ammonium salt)
2-chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulphonamide

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
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).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.8552		Relay (1.0) Calculated Property
Δ_fG°	53.11	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-495.71	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	131.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.76		Relay (1.0) Calculated Property
logP_oct/wat	1.352		Crippen Calculated Property
McVol	230.090	ml/mol	McGowan Calculated Property
P_c	3391.75	kPa	Relay (1.0-beta) Calculated Property
T_boil	658.76	K	Relay (1.0) Calculated Property
T_c	1070.23	K	Relay (1.0) Calculated Property
T_fus	477.51	K	Relay (1.0) Calculated Property
V_c	0.815	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

(E)-Eruciflorine.

Acetylgynuramine.

Senecionine, 12-acetyl.

Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1.

Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2.

Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate.

Baptifoline.

5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-.

21-Hydroxyintergerrimine.

Argentamin.

1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-.

Epibaptifoline.

Eruciflorine.

Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-.

Ergoline-8-methanol, 8,9-didehydro-6-methyl-.

Find more compounds similar to Chlorsulfuron.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
McGowan Method
NIST Webbook

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