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| CAS No.: | 621-38-5 |
|---|---|
| Name: | 3'-BROMOACETANILIDE |
| Molecular Structure: | |
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| Formula: | C8H8 Br N O |
| Molecular Weight: | 214.062 |
| Synonyms: | Acetanilide,3'-bromo- (6CI,7CI,8CI); 3-Bromoacetanilide; 3'-Bromoacetanilide;N-(3-Bromophenyl)acetamide; NSC 408071; m-Bromoacetanilide |
| Density: | 1.543g/cm3 |
| Melting Point: | 87-89 °C |
| Boiling Point: | 349.2°C at 760 mmHg |
| Flash Point: | 165°C |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−. |
| PSA: | 29.10000 |
| LogP: | 2.48050 |
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Chemistry
Molecular Structure of 3-Bromoacetanilide (621-38-5):
IUPAC Name: N-(3-Bromophenyl)acetamide
Molecular Formula: C8H8BrNO
Molecular Weight: 214.059220 g/mol
XLogP3 2.3
H-Bond Donor 1
H-Bond Acceptor 1
Canonical SMILES: CC(=O)NC1=CC(=CC=C1)Br
InChI: InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey: XXHOHJTVFUJJMT-UHFFFAOYSA-N
Index of Refraction: 1.611
Molar Refractivity: 48.21 cm3
Molar Volume: 138.7 cm3
Surface Tension: 46.1 dyne/cm
Density: 1.543 g/cm3
Flash Point: 165 °C
Enthalpy of Vaporization: 59.37 kJ/mol
Boiling Point: 349.2 °C at 760 mmHg
Vapour Pressure: 4.77E-05 mmHg at 25 °C
Water Solubility: 393.9 mg/L at 25 °C
BRN: 2086784
Toxicity Data With Reference
| 1. | ipr-mus LD :>500 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 6 (1954),51. |
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.
Specification
3-Bromoacetanilide (621-38-5) is organic intermediate, also known as 4-12-00-01494 (Beilstein Handbook Reference) ; m-Bromoacetanilide ; Acetamide, N-(3-bromophenyl)- (9CI) ; Acetanilide, 3'-bromo- . 3-Bromoacetanilide (621-38-5) can be obtained by reaction of Acetaldehyde diethyl acetal and Chlorination.