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61-31-4

Basic Information
CAS No.: 61-31-4
Name: Sodium naphthalene-1-acetate
Article Data: 2
Molecular Structure:
Molecular Structure of 61-31-4 (Sodium naphthalene-1-acetate)
Formula: C12H9NaO2
Molecular Weight: 208.192
Synonyms: 1-Naphthaleneaceticacid, sodium salt (8CI,9CI);1-Naphthylacetic acid sodium salt;Pomonit;Pomonit R 10;Radi-Stim;Sodium 1-naphthaleneacetate;Sodium 1-naphthylacetate;Sodium a-naphthaleneacetate;Sodium a-naphthylacetate;Stik;Stik(growth regulator);a Naphthylacetic acid sodium salt;1-Naphthaleneacetic acid,sodium salt;
EINECS: 200-504-2
Melting Point: 134.5-135.5oC
Boiling Point: 373.2 °C at 760 mmHg
Flash Point: 270.1 °C
Solubility: almost transparency
PSA: 40.13000
LogP: 1.13220
Synthetic route

2,4,6-trifluorophenylglyoxylic acid

61-31-4

1-naphthaleneacetic acid sodium salt

3-(2,4,6-trifluorophenyl)-4-(1-naphthyl)furan-2,5-dione

Conditions
ConditionsYield
With acetic anhydride for 2h; Inert atmosphere; Reflux;96%
61-31-4

1-naphthaleneacetic acid sodium salt

5121-00-6

naphthalen-1-yl-acetyl chloride

Conditions
ConditionsYield
Stage #1: sodium salt of 1-naphthylacetic acid With hydrogenchloride In water pH=2 - 3;
Stage #2: With thionyl chloride; N,N-dimethyl-formamide In toluene at 20℃; for 2h; Reflux;
95.6%
2-(2-bromophenyl)-2-oxoacetic acid
26767-16-8

2-(2-bromophenyl)-2-oxoacetic acid

61-31-4

1-naphthaleneacetic acid sodium salt

3-(2-bromophenyl)-4-(1-naphthyl)furan-2,5-dione

Conditions
ConditionsYield
With acetic anhydride for 2h; Inert atmosphere; Reflux;95%
12109-71-6

bis(methylcyclopentadienyl)dichloro zirconium(IV)

61-31-4

1-naphthaleneacetic acid sodium salt

(C5H4CH3)2ZrCl(C10H7CH2COO)

Conditions
ConditionsYield
In toluene byproducts: NaCl; stirring a mixt. of (C5H4CH3)2ZrCl2 and C10H7CH2COONa in dry toluene for 8 h at room temp.;; filtration; concg. of the filtrate under reduced pressure; addn. of anhydrous hexane; crystn. at 0°C; elem. anal.;;82%

tris(N,N'-diphenylformamidinato)diruthenium(II,III) dichloride

61-31-4

1-naphthaleneacetic acid sodium salt

[Ru2Cl(μ-N,N′-diphenylformamidinate)3(μ-1-naphthaleneacetate)]

Conditions
ConditionsYield
In water; acetone for 72h;81%
1291-32-3

zirconocene dichloride

61-31-4

1-naphthaleneacetic acid sodium salt

(C5H5)2ZrCl(C10H7CH2COO)

Conditions
ConditionsYield
In toluene byproducts: NaCl; stirring a mixt. of (C5H5)2ZrCl2 and C10H7CH2COONa in dry toluene for 8 h at room temp.;; filtration; concg. of the filtrate under reduced pressure; addn. of anhydrous hexane; crystn. at 0°C; elem. anal.;;78%
487-89-8

Indole-3-carboxaldehyde

108-24-7

acetic anhydride

61-31-4

1-naphthaleneacetic acid sodium salt

(Z)-3-(1-Acetyl-1H-indol-3-yl)-2-naphthalen-1-yl-acrylic acid

Conditions
ConditionsYield
With water Heating;
61-31-4

1-naphthaleneacetic acid sodium salt

1-[3-((E)-2-Naphthalen-1-yl-vinyl)-indol-1-yl]-ethanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O / Heating
2: quinoline, copper chromite / Heating
View Scheme
61-31-4

1-naphthaleneacetic acid sodium salt

134305-29-6

3-((Z)-2-Naphthalen-1-yl-vinyl)-1H-indole

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: H2O / Heating
2: quinoline, copper chromite / Heating
3: NaOEt / ethanol / 45 °C
4: ethanol / 20 °C / Irradiation; var. solvents
View Scheme
61-31-4

1-naphthaleneacetic acid sodium salt

134305-27-4

(E)-3-(2-(naphthalen-1-yl)vinyl)-1H-indole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: H2O / Heating
2: quinoline, copper chromite / Heating
3: NaOEt / ethanol / 45 °C
View Scheme
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Sodium naphthalene-1-acetate, with the cas registry number 61-31-4, has the IUPAC name of sodium 2-naphthalen-1-ylacetate. And its systematic name is sodium naphthalen-1-ylacetate. Besides, its product categories are various, including Auxins; Biochemistry; Plant Growth Regulators. When store this chemical, keep it in a dry, cool and well-ventilated place, away from the food materials.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): -0.28; (4)ACD/BCF (pH 5.5): 4.17; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 43.25; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3; (12)Flash Point: 270.1 °C; (13)Enthalpy of Vaporization: 65.45 kJ/mol; (14)Boiling Point: 373.2 °C at 760 mmHg; (15)Vapour Pressure: 3.13E-06 mmHg at 25°C; (16)Exact Mass: 208.050024; (17)MonoIsotopic Mass: 208.050024; (18)Topological Polar Surface Area: 40.1; (19)Heavy Atom Count: 15; (20)Formal Charge: 0; (21)Complexity: 218.

In addition, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]
(2)InChI: InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1 
(3)InChIKey: CJUUXVFWKYRHAR-UHFFFAOYSA-M 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 670mg/kg (670mg/kg)   Pesticide Manual. Vol. 9, Pg. 607, 1991.
rabbit LD50 skin > 2gm/kg (2000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES National Technical Information Service. Vol. OTS0556092,
rat LD50 oral 933mg/kg (933mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0556092