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Benzamide

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Name Benzamide EINECS 200-227-7
CAS No. 55-21-0 Density 1.12 g/cm3
Solubility negligible Melting Point 125-128 °C(lit.)
Formula C7H7NO Boiling Point 288 °C at 760 mmHg
Molecular Weight 121.14 Flash Point 127.978 °C
Transport Information Appearance off-white crystals or powder
Safety 22-24/25 Risk Codes 22
Molecular Structure Molecular Structure of 55-21-0 (Benzamide) Hazard Symbols HarmfulXn
Synonyms

Benzenecarboxamide;Benzoic acid amide;Benzoylamine;NSC 3114;Phenylamide;Phenylcarboxamide;

 

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.
 

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