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| Name |
Benzacin hydrochloride |
EINECS | N/A |
| CAS No. | 71-79-4 | Density | 1.1381 (estimate) |
| PSA | 49.77000 | LogP | 2.82930 |
| Solubility | N/A | Melting Point |
190-192 °C
|
| Formula | C18H21 N O3 . Cl H | Boiling Point | 380.8°C at 760 mmHg |
| Molecular Weight | 403.28 | Flash Point | 184.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of HCl. | Risk Codes | R36/37/38; R22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Benzilicacid, 2-(dimethylamino)ethyl ester hydrochloride (6CI,8CI); Ethanol,2-dimethylamino-, benzilate-HCl (4CI); 2-(Dimethylamino)ethyl benzilatehydrochloride; Benzacin hydrochloride; Benzacine hydrochloride; Difemin;Dimethylaminoethyl diphenylhydroxyacetate hydrochloride; Diphemin; a,a-Diphenyl-a-hydroxyacetic acid b-dimethylaminoethyl ester hydrochloride |
Benzacin hydrochloride Chemical Properties
Product Name: Benzacin hydrochloride (CAS NO.71-79-4)
Molecular Formula: C18H22ClNO3
Molecular Weight: 335.83g/mol
Mol File: 71-79-4.mol
Einecs: 200-765-2
Appearance: White to light yellow crystalline powder
Melting Point: 190-192 °C
Boiling point: 380.8 °C at 760 mmHg
Flash Point: 184.1 °C
Enthalpy of Vaporization: 66.35 kJ/mol
Vapour Pressure: 1.77E-06 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Benzacin hydrochloride (CAS NO.71-79-4):
IUPAC Name: 2-dimethylaminoethyl 2-hydroxy-2,2-diphenylacetate hydrochloride
Canonical SMILES: CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
InChI: InChI=1S/C18H21NO3.ClH/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,21H,13-14H2,1-2H3;1H
InChIKey: IJKAOMCJQZGZPQ-UHFFFAOYSA-N
Benzacin hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 137mg/kg (137mg/kg) | Pharmaceutical Chemistry Journal Vol. 2, Pg. 201, 1968. | |
| mouse | LD50 | intravenous | 40mg/kg (40mg/kg) | Journal of Laboratory and Clinical Medicine. Vol. 30, Pg. 700, 1945. | |
| mouse | LD50 | oral | 281mg/kg (281mg/kg) | Journal of Laboratory and Clinical Medicine. Vol. 30, Pg. 700, 1945. | |
| rat | LD50 | intravenous | 30mg/kg (30mg/kg) | Journal of Laboratory and Clinical Medicine. Vol. 30, Pg. 700, 1945. | |
| rat | LD50 | oral | 1035mg/kg (1035mg/kg) | Journal of Laboratory and Clinical Medicine. Vol. 30, Pg. 700, 1945. |
Benzacin hydrochloride Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of HCl.
Safety Information of Benzacin hydrochloride (CAS NO.71-79-4):
Hazard Codes: Xn
Risk Statements: 36/37/38-22
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 37/39-26
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37: Wear suitable gloves
39: Wear eye/face protection
Benzacin hydrochloride Specification
Benzacin hydrochloride ,its CAS NO. is 71-79-4,the synonyms is 2-(Dimethylamino)ethyl benzilate hydrochloride ; Benzacin ; Benzacin HCl ; Benzilic acid, 2-(dimethylamino)ethyl ester, hydrochloride ; Difemin ; Dimethylaminoethyl benzilate, hydrochloride ; Dimethylaminoethyl diphenylhydroxyacetate hydrochloride ; Diphemin ; EINECS 200-765-2 ; HK-141 ; NSC 16329 ; 2-(Dimethylamino)ethyl diphenylglycolatehydrochloride ; Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride (9CI) ; Benzilic acid, 2-(dimethylamino)ethyl ester, hydrochloride .
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