1-Naphthaleneaceticacid, sodium salt (1:1) (61-31-4)

Identification

Name:

1-Naphthaleneaceticacid, sodium salt (1:1)

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;

CAS:

61-31-4

EINECS:

200-504-2

Molecular Formula:

C₁₂H₉NaO₂

Molecular Weight:

208.19

InChI:

InChI=1/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

Molecular Structure:

(C12H9NaO2) 1-Naphthaleneaceticacid, sodium salt (8CI,9CI);1-Naphthylacetic acid sodium salt;Pomonit;Pomonit R 1...

Properties

Melting Point:

134.5-135.5 deg C

Solubility:

Slightly soluble in ethanol, trifluoroacetic acid; soluble in benzene and acetic acid; very soluble in ethyl ether, acetone, and chloroform.
10.6 mg/l in carbon tetrachloride @ 26 deg C; 55 mg/l in xylene at 26 deg C
About 30 parts in alcohol
Very sol in isopropanol
In water, 420 mg/l @ 20 deg C

Specification:

The 1-Naphthaleneacetic acid, sodium salt, 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

Report:

Reported in EPA TSCA Inventory.

Color:

Needles from water
White crystals
Colorless crystals

Safety Data

1-Naphthaleneaceticacid, sodium salt (1:1) (61-31-4)

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