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| CAS No.: | 56107-02-9 |
|---|---|
| Name: | 4-Chloro-3-nitrobenzophenone |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H8ClNO3 |
| Molecular Weight: | 261.664 |
| Synonyms: | Benzophenone,4-chloro-3-nitro- (1CI);3-Nitro-4-chlorobenzophenone; |
| EINECS: | 259-995-7 |
| Density: | 1.367 g/cm3 |
| Melting Point: | 101-107 °C |
| Boiling Point: | 386.5 °C at 760 mmHg |
| Flash Point: | 203.4 °C |
| Appearance: | pale yellow crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21 |
| Safety: | 45-36/37/39-26-22 |
| PSA: | 62.89000 |
| LogP: | 4.00240 |
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Chemistry
Molecule structure of 4-Chloro-3-nitrobenzophenone (CAS NO.56107-02-9):
IUPAC Name: (4-Chloro-3-nitrophenyl)-phenylmethanone
Molecular Weight: 261.66052 g/mol
Molecular Formula: C13H8ClNO3
Density: 1.367 g/cm3
Melting Point: 101-107 °C
Boiling Point: 386.5 °C at 760 mmHg
Flash Point: 203.4 °C
Index of Refraction: 1.623
Molar Refractivity: 67.48 cm3
Molar Volume: 191.3 cm3
Surface Tension: 53.8 dyne/cm
Enthalpy of Vaporization: 63.54 kJ/mol
Vapour Pressure: 3.53E-06 mmHg at 25 °C
XLogP3: 3.6
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 261.019271
MonoIsotopic Mass: 261.019271
Topological Polar Surface Area: 60.2
Heavy Atom Count: 18
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
EINECS: 259-995-7
Product Categories: Aromatic Benzophenones & Derivatives (substituted)
Uses
4-Chloro-3-nitrobenzophenone (CAS NO.56107-02-9) is used as pharmaceutical intermediate.
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#04683, |
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21
R20/21:Harmful by inhalation and in contact with skin.
Safety Statements: 45-36/37/39-26-22
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
RTECS: DJ0425000
Specification
4-Chloro-3-nitrobenzophenone (CAS NO.56107-02-9) is also named as 4-07-00-01383 (Beilstein Handbook Reference) ; BRN 2587417 ; Benzophenone, 4-chloro-3-nitro- . 4-Chloro-3-nitrobenzophenone (CAS NO.56107-02-9) is pale yellow crystalline powder.