-
Name
ethyl 2-bromo-2-cyano-acetate
- EINECS
- CAS No. 1187-46-8
- Article Data2
- CAS DataBase
- Density 1.58g/cm3
- Solubility
- Melting Point
- Formula C5H6 Br N O2
- Boiling Point 208.6°C at 760 mmHg
- Molecular Weight 192.012
- Flash Point 79.9°C
- Transport Information
- Appearance
- Safety A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and Br−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aceticacid, bromocyano-, ethyl ester (6CI,7CI,8CI,9CI); Ethyl 2-cyano-2-bromoacetate;Ethyl bromocyanoacetate; Ethyl cyanobromoacetate; Ethyl a-bromo-a-cyanoacetate; NSC 77072
- PSA 50.09000
- LogP 0.83658
Ethyl 2-bromo-2-cyano-acetate Chemical Properties
Empirical Formula of Ethyl 2-bromo-2-cyano-acetate (CAS NO.1187-46-8): C5H6BrNO2
Molecular Weight: 192.0106
Index of Refraction: 1.481
Density: 1.58 g/cm3
Flash Point: 79.9 °C
Enthalpy of Vaporization: 44.48 kJ/mol
Boiling Point: 208.6 °C at 760 mmHg
Vapour Pressure: 0.212 mmHg at 25 °C
Structure of Ethyl 2-bromo-2-cyano-acetate (CAS NO.1187-46-8):
IUPAC Name of Ethyl 2-bromo-2-cyano-acetate (CAS NO.1187-46-8): Ethyl 2-bromo-2-cyanoacetate
Canonical SMILES: CCOC(=O)C(C#N)Br
InChI: InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3
InChIKey: QFGBTDLJOFKSQL-UHFFFAOYSA-N
Ethyl 2-bromo-2-cyano-acetate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00605, | |
| rabbit | LDLo | skin | 316mg/kg (316mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: FOOD INTAKE (ANIMAL) | National Technical Information Service. Vol. OTS0570610, |
| rat | LD50 | oral | 420mg/kg (420mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0570610, |
Ethyl 2-bromo-2-cyano-acetate Safety Profile
A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and Br−.
Ethyl 2-bromo-2-cyano-acetate Specification
Ethyl 2-bromo-2-cyano-acetate ,its cas register number is 1187-46-8. It also can be called Ethyl alpha-bromo-alpha-cyanoacetate ; Acetic acid, bromocyano-, ethyl ester ; and Acetic acid, 2-bromo-2-cyano-, ethyl ester .
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