Name | Benzilic acid |
Synonyms | Benzilic acid Diphenylglycolic acid BENZILIC ACID extrapure hydroxy(diphenyl)acetate hydroxy(diphenyl)acetic acid BENZILIC ACID FOR SYNTHESIS 1 KG BENZILIC ACID FOR SYNTHESIS 250 G Benzilic acidDiphenylglycolic acid TrospiuM Chloride Related CoMpound A Benzeneacetic acid,a-hydroxy-a-phenyl- Trospium Chloride Related Compound A (20 mg) (Benzilic Acid) (International Restricted Sales Item) Trospium Chloride Related Compound A (20 mg) (Benzilic Acid) (Internationally Restricted Sales Item) |
CAS | 76-93-7 |
EINECS | 200-993-2 |
InChI | InChI=1/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)/p-1 |
Molecular Formula | C14H12O3 |
Molar Mass | 228.25 |
Density | 1.28 |
Melting Point | 149-151°C(lit.) |
Boling Point | 180 °C |
Flash Point | 180°C/22mm |
Water Solubility | 1.41 g/L (25 ºC) |
Solubility | 1.41g/l (experimental) |
Vapor Presure | 2.01E-07mmHg at 25°C |
Appearance | Powder |
Color | White to cream-white |
Merck | 14,1080 |
BRN | 521402 |
pKa | pKa (25°): 3.036 |
Storage Condition | Store below +30°C. |
Stability | Stable. Incompatible with strong oxidizing agents. Combustible. |
Refractive Index | 1.5805 (estimate) |
Physical and Chemical Properties | White crystalline powder |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, 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 | DD2064000 |
TSCA | Yes |
HS Code | 29181980 |
Toxicity | LD50 orl-mus: 2 g/kg AIPTAK 116,154,58 |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Use | an intermediate of weifukang. |
production method | is obtained by oxidation and translocation of benzoin. Benzoyl was obtained by oxidation of benzoin with nitric acid, which was added to sodium hydroxide solution, reacted at 100-110 ° C. For 6h, diluted with water, and then adjusted to pH 3.5-4.0 with dilute sulfuric acid. Remove the floating oil, add activated carbon decolorization 0.5h, filtration, filtrate sulfuric acid to Ph 2, spin filter, water wash, dry to get the finished product. Another method is to react benzoin with potassium bromate: The benzoin, water, sodium hydroxide and potassium bromate are stirred at 80-90 °c for 3H, and then the reaction mixture is diluted with 2 times of water, dilute sulfuric acid was added and neutralized to pH 8, and insoluble matter was filtered off. The filtrate was acidified with hydrochloric acid to pH 2.5, and crystals were precipitated. The yield of the two modes of operation is about 80%. |
category | toxic substances |
toxicity grade | poisoning |
Acute toxicity | oral-mouse LD50: 2000 mg/kg; Subcutaneous-mouse LD50: 1300 mg/kg |
flammability hazard characteristics | flammable; Combustion-induced irritating smoke |
storage and transportation characteristics | ventilation and low temperature drying |
fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |