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2302-17-2

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Basic Information
CAS No.: 2302-17-2
Name: Asulam sodium salt
Molecular Structure:
Molecular Structure of 2302-17-2 (Asulam sodium salt)
Formula: C8H10N2NaO4S
Molecular Weight: 252.22
Synonyms: Carbamicacid, [(4-aminophenyl)sulfonyl]-, methyl ester, monosodium salt (9CI);Carbamicacid, sulfanilyl-, methyl ester, monosodium salt (8CI);Sodium,(N1-carboxysulfanilamido)-, methyl ester (7CI);ARD 13/02;Arsilan;Arsilan80SG;Asulam sodium salt;Asulox;Sodium Asulam;
EINECS: 218-953-8
Density: 1.418g/cm3
Melting Point: 240 °C
PSA: 98.08000
LogP: 2.15220
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Specification

The Asulam sodium salt, with the CAS registry number 2302-17-2, has the systematic name of carbamic acid, N-[(4-aminophenyl)sulfonyl]-, methyl ester, sodium salt (1:1). It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C8H10N2NaO4S.

The characteristics of Asulam sodium salt are as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.3 Å2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].O=S(=O)(c1ccc(N)cc1)NC(=O)OC
(2)InChI: InChI=1/C8H10N2O4S.Na/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1
(3)InChIKey: PEXLHWBDBQUUOG-UHFFFAOYAC

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A021, Pg. 1983,
mouse LD50 oral > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A021, Pg. 1983,
rabbit LD50 oral > 2gm/kg (2000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A021, Pg. 1983,
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C28, 1991.
rat LD50 oral 2gm/kg (2000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1076, 1986.
rat LD50 skin > 9400uL/kg (9.4mL/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A021, Pg. 1983,