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| Name |
Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide |
EINECS | N/A |
| CAS No. | 27068-06-0 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H18 N O . Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 260.21 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NH3, NOx, and Br−. See also BROMIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ammonium,diethyl(m-hydroxyphenyl)methyl-, bromide (8CI); Benzenaminium,N,N-diethyl-3-hydroxy-N-methyl-, bromide (9CI);3-Hydroxyphenyldiethylmethylammonium bromide |
Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide Chemical Properties
Molecular Structure of Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide (CAS NO. 27068-06-0):
IUPAC Name: Diethyl-(3-hydroxyphenyl)-methylazanium bromide
Molecular Formula: C11H18BrNO
Molecular Weight: 260.170720 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 2
Freely Rotating Bonds: 4
Canonical SMILES: CC[N+](C)(CC)C1=CC(=CC=C1)O.[Br-]
InChI: InChI=1S/C11H17NO.BrH/c1-4-12(3,5-2)10-7-6-8-11(13)9-10;/h6-9H,4-5H2,1-3H3;1H
InChIKey: FPSGOTBPWRPBCZ-UHFFFAOYSA-N
Polar Surface Area of Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide (CAS NO. 27068-06-0): 9.23 Å2
Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide Toxicity Data With Reference
| 1. | orl-mus LD50:690 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 100 (1950),83. | ||
| 2. | ipr-mus LD50:26 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 100 (1950),83. | ||
| 3. | scu-mus LD50:61 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 100 (1950),83. | ||
| 4. | ivn-mus LD50:10 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 100 (1950),83. | ||
| 5. | ivn-dog LD50:20 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 100 (1950),83. | ||
| 6. | ivn-rbt LD50:27 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 100 (1950),83. |
Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide Safety Profile
Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NH3, NOx, and Br−. See also BROMIDES.
Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide Specification
Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide with cas registry number of 27068-06-0 is also called for (3-Hydroxyphenyl)diethylmethylammonium bromide ; Diethyl(m-hydroxyphenyl)methylammonium bromide ; Ro 2-2980 .
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