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Cas Database |
| Name |
2-Chloro-4-nitoranisole |
EINECS | 225-547-4 |
| CAS No. | 4920-79-0 | Density | 1.367 g/cm3 |
| PSA | 55.05000 | LogP | 2.78000 |
| Solubility | N/A | Melting Point |
94 °C |
| Formula | C7H6ClNO3 | Boiling Point | 286.598 °C at 760 mmHg |
| Molecular Weight | 187.583 | Flash Point | 127.13 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Anisole,2-chloro-4-nitro- (6CI,7CI,8CI);3-Chloro-4-methoxynitrobenzene; |
Article Data | 27 |
2-Chloro-4-nitoranisole Chemical Properties
Molecular Structure of 2-Chloro-4-nitro-anisole (CAS NO.4920-79-0):
EINECS: 225-547-4
IUPAC Name: 2-Chloro-1-methoxy-4-nitrobenzene
Molecular Formula: C7H6ClNO3
Molecular Weight: 187.580440 g/mol
XLogP3: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI: InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChIKey: DLJPNXLHWMRQIQ-UHFFFAOYSA-N
Index of Refraction: 1.559
Molar Refractivity: 44.37 cm3
Molar Volume: 137.2 cm3
Surface Tension: 44.9 dyne/cm
Density: 1.366 g/cm3
Flash Point: 127.1 °C
Enthalpy of Vaporization: 50.46 kJ/mol
Boiling Point: 286.6 °C at 760 mmHg
Vapour Pressure: 0.00451 mmHg at 25 °C
Melting Point: 94 °C
Water Solubility: 140.5 mg/L at 25 °C
BRN: 2209429
2-Chloro-4-nitoranisole Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | TOERD9 Toxicological European Research. 2 (1979),77. | ||
| 2. | eye-rbt 100 mg MLD | TOERD9 Toxicological European Research. 2 (1979),77. | ||
| 3. | orl-rat LD50:1180 mg/kg | TOERD9 Toxicological European Research. 2 (1979),77. | ||
| 4. | ipr-rat TDLo:445 mg/kg | TOERD9 Toxicological European Research. 2 (1979),77. | ||
| 5. | orl-mus LD50:1550 mg/kg | TOERD9 Toxicological European Research. 2 (1979),77. | ||
| 6. | ipr-mus LD50:815 mg/kg | TOERD9 Toxicological European Research. 2 (1979),77. |
2-Chloro-4-nitoranisole Safety Profile
Safety Information of 2-Chloro-4-nitro-anisole (CAS NO.4920-79-0):
Hazard Codes: Xi 
RTECS: BZ8578000
Moderately toxic by ingestion and intraperitoneal routes. An eye and skin irritant. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
2-Chloro-4-nitoranisole Specification
2-Chloro-4-nitro-anisole with CAS registry number of 4920-79-0 is also known as 2-Chloro-4-nitroanisole ; 2-Chloro-1-methoxy-4-nitrobenzene ; 4-06-00-01354 (Beilstein Handbook Reference) ; Chloronitroanisole ; OCNA ; Orthochloroparanitroanisole ; Anisole, 2-chloro-4-nitro- ; Benzene, 2-chloro-1-methoxy-4-nitro- (9CI) .
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