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| CAS No.: | 55-21-0 |
|---|---|
| Name: | Benzoylamide |
| Article Data: | 1221 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7NO |
| Molecular Weight: | 121.139 |
| Synonyms: | Benzenecarboxamide;Benzoic acid amide;Benzoylamine;NSC 3114;Phenylamide;Phenylcarboxamide; |
| EINECS: | 200-227-7 |
| Density: | 1.12 g/cm3 |
| Melting Point: | 125-128 °C(lit.) |
| Boiling Point: | 288 °C at 760 mmHg |
| Flash Point: | 127.978 °C |
| Solubility: | negligible |
| Appearance: | off-white crystals or powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 22-24/25 |
| PSA: | 43.09000 |
| LogP: | 1.48580 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With water; nitrile hydratase from Rhodococcus rhodochrous J1 at 25℃; for 24h; K2HPO4-KH2PO4 puffer pH=8.0; | 100% |
| With manganese(IV) oxide; silica gel In 2,2,4-trimethylpentane for 2h; Heating; | 100% |
| With sodium hydroxide; trisodium tris(3-sulfophenyl)phosphine; water; chloro(1,5-cyclooctadiene)rhodium(I) dimer In ethyl acetate at 90℃; for 24h; pH=11.7; hydration; | 100% |
- 27704-37-6
2,2,2-trichloro-1-(4-chlorophenyl)ethanone
- 55-21-0
benzamide
| Conditions | Yield |
|---|---|
| With ammonia In hexane for 0.5h; Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel dichloride In methanol at 0 - 10℃; for 0.166667h; Product distribution; other aroyl azides; with ultrasonication; | 100% |
| With xanth-9-one In isopropyl alcohol Photolysis; | 100% |
| With tetracarbonylhydridoferrate In ethanol at -40℃; for 12h; | 98% |
- 25408-75-7
N,N'-dibenzoylsulfur diimide
- 126-81-8
dimedone
A
- 55-21-0
benzamide
B
- 85078-62-2
8,8-Dimethyl-3-phenyl-4-oxa-1-thia-2-aza-spiro[4.5]dec-2-ene-6,10-dione
| Conditions | Yield |
|---|---|
| In benzene at 20℃; for 2.5h; | A n/a B 100% |
A
- 71151-37-6
p-chlorobenzene(N-benzoyl)iminosulfinyl chloride
B
- 55-21-0
benzamide
| Conditions | Yield |
|---|---|
| In benzene for 0.125h; Heating; | A 100% B 100% |
- 41882-10-4
N-(4-methoxybenzyl)benzamide
- 55-21-0
benzamide
| Conditions | Yield |
|---|---|
| With copper(II) tris(triflyl)methide; methoxybenzene at 154℃; for 4.5h; debenzylation; | 100% |
| With dipotassium peroxodisulfate; tris(bipyridine)ruthenium(II) dichloride hexahydrate; water In acetonitrile at 20℃; for 12h; Sealed tube; Irradiation; Green chemistry; | 87% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In tetrahydrofuran; ethanol at 20℃; for 4h; | 100% |
| Conditions | Yield |
|---|---|
| With hydroxylamine; copper diacetate In water at 110℃; for 48h; | 99% |
| With hydroxylamine; C33H28F3N5O3Ru(1+)*Cl(1-) In water at 60℃; for 0.5h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Sonication; | 99% |
| Stage #1: benzaldehyde With ammonia; iodine In tetrahydrofuran; water at 20℃; for 1h; Stage #2: With dihydrogen peroxide In tetrahydrofuran; water at 20℃; for 2.5h; Further stages.; | 98% |
| Conditions | Yield |
|---|---|
| With triethylamine; aniline In dichloromethane | 99% |
| With titanium-nitrogen; potassium carbonate In benzene at 20℃; | 96% |
| 90% |
| Conditions | Yield |
|---|---|
| With copper diacetate In 1,4-dioxane at 110℃; for 72h; | 99% |
| With C55H45ClN5P2Ru(1+)*Cl(1-) In water at 110℃; for 12h; Reagent/catalyst; Temperature; Solvent; Sealed tube; | 97% |
| With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In toluene at 130℃; for 3h; Green chemistry; | 96% |
- 71320-77-9Benzamide,4-chloro-N-[2-(4-morpholinyl)ethyl]-
- 477-73-6Phenazinium,3,7-diamino-2,8-dimethyl-5-phenyl-, chloride (1:1)
- 7789-78-8Calcium hydride
- 109-90-0Ethane, isocyanato-
- 27206-35-51-Propanesulfonic acid,3,3'-dithiobis-, sodium salt (1:2)
- 2628-16-2Phenol, 4-ethenyl-,1-acetate
- 9007-43-6Cytochrome C
- 54048-10-1Etonogestrel
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Consensus Reports
Reported in EPA TSCA Inventory. Community Right-To-Know List. Human mutation data reported.
Specification
The IUPAC name of this chemical is benzamide. With the CAS registry number 55-21-0, it is also named as Amid kyseliny benzoove. The product's categories are pharmaceutical intermediates; aromatic carboxylic acids, amides, anilides, anhydrides & salts; highly purified reagents; zone refined products. It is off-white crystals or powder which is a derivative of benzoic acid. 1g product dissolved in 3.3ml pyridine, 6ml ethanol, 74ml cold water. More is soluble in boiling water, soluble in hot benzene, and slightly soluble in ether. In addition, it reacts with azo and diazo compounds to generate toxic gases. When mixing with dehydrating agents such as P2O5 or SOCl2, it generates the corresponding nitrile. Besides, Benzamide must sealed in the container.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.751; (4)ACD/LogD (pH 7.4): 0.751; (5)ACD/BCF (pH 5.5): 2.192; (6)ACD/BCF (pH 7.4): 2.192; (7)ACD/KOC (pH 5.5): 61.03; (8)ACD/KOC (pH 7.4): 61.03; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.564; (13)Molar Volume: 108.135 cm3; (14)Polarizability: 13.948×10-24 cm3; (15)Surface Tension: 46.061 dyne/cm; (16)Enthalpy of Vaporization: 52.721 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 2; (20)Exact Mass: 121.052764; (21)MonoIsotopic Mass: 121.052764; (22)Topological Polar Surface Area: 43.1; (23)Heavy Atom Count: 9.
Preparation of Benzamide: It is obtained by the reaction of benzoyl chloride and ammonia. First, adding ammonium carbonate and the ammonia which the relative density is below 0.905 into glass-lined reacter, and stirring, adding Benzoyl chloride dropwise below 40 °C. After finished, keep stirring 30min until there is no Benzoyl chlorine smell. The crude product is filtered, washed and distilled with water to get recrystallization.
Uses of Benzamide: It is used in the determination of glycine. And it is also used as intermediates in organic synthesis. In addition, this chemical is used in the production of pharmaceuticals and dyes.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, so people should not breathe dust and avoid contact with skin and eyes. It is hazardous, so the first aid measures and others should be known. When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid.
People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(cc1)C(=O)N
2. InChI:InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
3. InChIKey:KXDAEFPNCMNJSK-UHFFFAOYAA
The following are the toxicity data which has been tested.
| 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. | |
| mouse | LD50 | intraperitoneal | 1282mg/kg (1282mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990. |
| mouse | LD50 | oral | 1160mg/kg (1160mg/kg) | Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971. | |
| rat | LD50 | intraperitoneal | 781mg/kg (781mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990. |