CAS No.2300-66-5,3,6-dichloro-o-anisic acid, compound with dimethylamine (1:1) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2300-66-5
Name:	3,6-dichloro-o-anisic acid, compound with dimethylamine (1:1)
Article Data:	3

Formula:	C₈H₆Cl₂O₃^.C₂H₇N
Molecular Weight:	266.124
Synonyms:	Methanamine, N-methyl-, 3,6-dichloro-2-methoxybenzoate;3,6-dichloro-2-methoxy-benzoic acid; N-methylmethanamine;Banex;Dicamba-dimethylammonium;Banvel 4S;Dimethylamine, 3,6-dichloro-o-anisate;Dimethylammonium 2-methoxy-3,6-dichlorobenzoate;Dianate;o-Anisic acid, 3,6-dichloro-, compd. with dimethylamine (1:1);Dimethylammonium 3,6-dichloro-2-methylbenzoate;Dimethylamine dicamba;Dimethylammonium 3,6-dichloro-o-anisate;Banvel D;Benzoic acid, 3,6-dichloro-2-methoxy-, compd. with N-methylmethanamine (1:1);2-Methoxy-3,6-dichlorobenzoic acid dimethylamine salt;Banvel;3,6-Dichloro-o-anisic acid, compound with dimethylamine (1:1);3,6-Dichloro-2-methoxybenzoic acid compd. with N-methylmethanamine (1:1);Dicamba dimethylamine salt;136365-67-8;EPA Pesticide Chemical Code 029802;Benzoic acid,3,6-dichloro-2-methoxy-,compd. with N-methylmethanamine (1:1);DICAMBA AMINE;Dimethylamine salt of dicamba;Banvel 200;
EINECS:	218-951-7
Boiling Point:	326.1 °C at 760 mmHg
Flash Point:	151 °C

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Specification

The Dicamba dimethylamine, with CAS registry number 2300-66-5, has the systematic name of 3,6-dichloro-2-methoxybenzoic acid - N-methylmethanamine (1:1). And its IUPAC name is the same one. It has other registry number of 136365-67-8. What's more, classification codes are Agricultural Chemical and Herbicide.

Physical properties of Dicamba dimethylamine: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Enthalpy of Vaporization: 59.99 kJ/mol; (14)Vapour Pressure: 8.98E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(c1OC)C(=O)O.N(C)C
(2)InChI: InChI=1/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3
(3)InChIKey: JDRFUUBRGGDEIZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3
(5)Std. InChIKey: JDRFUUBRGGDEIZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C35, 1991.
rat	LD50	oral	2629mg/kg (2629mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C35, 1991.