Product Name

  • Name

    (2-dimethylamino)ethyl 3-amino-4-chlorobenzoate monohydrochloride

  • EINECS
  • CAS No. 94110-08-4
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C11H15 Cl N2 O2 . Cl H
  • Boiling Point 358.2°Cat760mmHg
  • Molecular Weight 279.19
  • Flash Point 170.5°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and other routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 94110-08-4 ((2-dimethylamino)ethyl 3-amino-4-chlorobenzoate monohydrochloride)
  • Hazard Symbols
  • Synonyms Benzoicacid, 3-amino-4-chloro-, 2-(dimethylamino)ethyl ester, monohydrochloride (9CI);Benzoic acid, 3-amino-4-chloro-, 2-dimethylaminoethyl ester, hydrochloride(6CI); Clormecaine hydrochloride
  • PSA 55.56000
  • LogP 3.02380

3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride Chemical Properties

Molecule structure of 3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride (CAS NO.94110-08-4) :

IUPAC Name: 2-(3-amino-4-chlorobenzoyl)oxyethyl-dimethylazanium chloride 
Molecular Weight: 279.16294 g/mol
Molecular Formula: C11H16Cl2N2O2 
Boiling Point: 358.2 °C at 760 mmHg
Flash Point: 170.5 °C
Enthalpy of Vaporization: 60.37 kJ/mol
Vapour Pressure: 2.58E-05 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 278.058883
MonoIsotopic Mass: 278.058883
Topological Polar Surface Area: 56.8
Heavy Atom Count: 17
Complexity: 236
Canonical SMILES: C[NH+](C)CCOC(=O)C1=CC(=C(C=C1)Cl)N.[Cl-]
InChI: InChI=1S/C11H15ClN2O2.ClH/c1-14(2)5-6-16-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6,13H2,1-2H3;1H
InChIKey: ORTUJXQCDMPHBM-UHFFFAOYSA-N
EINECS: 302-547-3

3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride Toxicity Data With Reference

1.    

orl-mus LD50:2480 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 97 (1958),457.
2.    

ipr-mus LD50:880 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 97 (1958),457.
3.    

unr-mam LD50:880 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 13 (1958),574.

3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride Safety Profile

Moderately toxic by ingestion and other routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.

3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride Specification

 3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride (CAS NO.94110-08-4) is also called 3-Amino-4-cloro-benzoato di dimetilaminoetile cloridrato ; 4-Cloro-3-aminobenzoato di dimetilaminoetile cloridrato ; REC 1-0060 ; (2-Dimethylamino)ethyl 3-amino-4-chlorobenzoate monohydrochloride ; Benzoic acid, 3-amino-4-chloro-, 2-((dimethylamino)ethyl) ester, monohydrochloride . 3-Amino-4-chlorobenzoic acid 2-((dimethylamino)ethyl) ester hydrochloride (CAS NO.94110-08-4) is moderate toxic. It is flammable. It will produce toxic nitrogen oxide and hydrogen chloride fumes when buring. So the storage environment should be ventilate, low-temperature and dry.

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