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| CAS No.: | 1775-95-7 |
|---|---|
| Name: | 2-Amino-5-nitrobenzophenone |
| Article Data: | 34 |
| Molecular Structure: | |
|
|
|
| Formula: |
C13H10N2O3 |
| Molecular Weight: | 242.234 |
| Synonyms: | Benzophenone,2-amino-5-nitro- (7CI,8CI);(2-Amino-5-nitrophenyl)phenylmethanone;Methanone,(2-amino-5-nitrophenyl)phenyl-;5-Nitro-2-aminobenzophenone;Ro 7-19990;2-amino-5-nitro benzophenone; |
| EINECS: | 217-207-9 |
| Density: | 1.333 g/cm3 |
| Melting Point: | 166-168 °C(lit.) |
| Boiling Point: | 478.1 °C at 760 mmHg |
| Flash Point: | 242.9 °C |
| Solubility: | 3 mg/L (20 °C) in water |
| Appearance: | yellow solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-37/39-36 |
| PSA: | 88.91000 |
| LogP: | 3.51240 |
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Chemistry
Structure of 2-Amino-5-nitrobenzophenone (CAS NO.1775-95-7):
IUPAC Name: (2-Amino-5-nitrophenyl)-phenylmethanone
Molecular Formula: C13H10N2O3
Molar mass: 242.2301 g/mol
Density: 1.333 g/cm3
Melting Point: 166-168 °C(lit.)
Boiling Point: 478.1 °C at 760 mmHg
Flash Point: 242.9 °C
Water Solubility: 3 mg/L (20 °C)
Index of Refraction: 1.657
Molar Refractivity: 66.82 cm3
Molar Volume: 181.6 cm3
Surface Tension: 61.2 dyne/cm
Enthalpy of Vaporization: 74.21 kJ/mol
Vapour Pressure: 2.65E-09 mmHg at 25 °C
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 242.069142
MonoIsotopic Mass: 242.069142
Topological Polar Surface Area: 86.2
Heavy Atom Count: 18
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N
InChI: InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N
EINECS: 217-207-9
Product Categories: FINE Chemical & INTERMEDIATES; Aromatic Benzophenones & Derivatives (substituted); Various Metabolites and Impurities; Nitrazepam; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; C13 to C14; Carbonyl Compounds; Ketones
Uses
2-Amino-5-nitrobenzophenone (CAS NO.1775-95-7) can be used as pharmaceutical intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | Biological Memoirs. Vol. 11, Pg. 192, 1985. |
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: PC4935000
Specification
2-Amino-5-nitrobenzophenone (CAS NO.1775-95-7) is also named as (2-Amino-5-nitrophenyl)phenylmethanone ; 4-14-00-00246 (Beilstein Handbook Reference) ; BRN 0748830 ; Methanone, (2-amino-5-nitrophenyl)phenyl- . 2-Amino-5-nitrobenzophenone (CAS NO.1775-95-7) is yellow solid.