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4920-79-0

Basic Information
CAS No.: 4920-79-0
Name: 2-Chloro-4-nitoranisole
Article Data: 27
Molecular Structure:
Molecular Structure of 4920-79-0 (2-Chloro-4-nitoranisole)
Formula: C7H6ClNO3
Molecular Weight: 187.583
Synonyms: Anisole,2-chloro-4-nitro- (6CI,7CI,8CI);3-Chloro-4-methoxynitrobenzene;
EINECS: 225-547-4
Density: 1.367 g/cm3
Melting Point: 94 °C
Boiling Point: 286.598 °C at 760 mmHg
Flash Point: 127.13 °C
Hazard Symbols: IrritantXi
PSA: 55.05000
LogP: 2.78000
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Chemistry

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

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.

Safety Profile

Safety Information of 2-Chloro-4-nitro-anisole (CAS NO.4920-79-0):
Hazard Codes: Xi Irritant
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.

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) .