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| CAS No.: | 824-75-9 |
|---|---|
| Name: | 4-Fluorobenzamide |
| Article Data: | 169 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6FNO |
| Molecular Weight: | 139.129 |
| Synonyms: | Benzamide,p-fluoro- (6CI,7CI,8CI);NSC 102765;p-Fluorobenzamide;p-Fluorobenzoic acid amide; |
| EINECS: | 212-535-9 |
| Density: | 1.238 g/cm3 |
| Melting Point: | 154-157 °C(lit.) |
| Boiling Point: | 253.1 °C at 760 mmHg |
| Flash Point: | 106.9 °C |
| Appearance: | white to light beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 43.09000 |
| LogP: | 1.62490 |
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Chemistry
Molecule structure of 4-Fluorobenzamide (CAS NO.824-75-9) :
IUPAC Name: 4-fluorobenzamide
Molecular Weight: 139.127043 g/mol
Molecular Formula: C7H6FNO
Density: 1.238 g/cm3
Melting Point: 155.5 deg C
Boiling Point: 253.1 °C at 760 mmHg
Flash Point: 106.9 °C
Appreance: white to light beige powder
Molar Volume: 112.3 cm3
Polarizability: 13.94*10-24 cm3
Surface Tension: 43.6 dyne/cm
Enthalpy of Vaporization: 49.05 kJ/mol
log P (octanol-water): 0.91
Water Solubility: 1.41E+04 mg/L
Vapor Pressure: 1.09E-03 mm Hg
Henry's Law Constant: 2.58E-09 atm-m3/mole
Atmospheric OH Rate Constant: 4.23E-12 cm3/molecule-sec
XLogP3: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 139.043342
MonoIsotopic Mass: 139.043342
Topological Polar Surface Area: 43.1
Heavy Atom Count: 10
Complexity: 130
Canonical SMILES: C1=CC(=CC=C1C(=O)N)F
InChI: InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: VNDHYTGVCGVETQ-UHFFFAOYSA-N
EINECS: 212-535-9
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Fluorobenzene; Anilines, Amides & Amines; Fluorine Compounds
Uses
4-Fluorobenzamide (CAS NO.824-75-9) is used as intermediate of pesticide and pharmaceutical.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 1gm/kg (1000mg/kg) | Pharmaceutical Chemistry Journal Vol. 28, Pg. 335, 1994. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: CV4956666
Hazard Note: Irritant
Specification
4-Fluorobenzamide (CAS NO.824-75-9) is also called 4-09-00-00954 (Beilstein Handbook Reference) ; BRN 1859744 ; Benzamide, p-fluoro- ; p-Fluorobenzamide ; p-Fluorobenzoic acid amide .