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(+)-2,3-DIBENZOYL-D-TARTARIC ACID (+)-Dibenzoyl-D-tartaric acid monohydrate (+)-O,O'-Dibenzoyl-D-tartaric acid (2S,3S)-(+)-DIBENZOYL-D-TARTARIC ACID (2S,3S)-(+)-DI-O-BENZOYLTARTARIC ACID (2S,3S)-2,3-BIS-BENZOYLOXY-SUCCINIC ACID 2,3-bis(benzoyloxy)butanedioic acid 2,3-Bis(benzoyloxy)succinic acid Butanedioic acid, 2,3-bis(benzoyloxy)- D-DBTA D-DIBENZOYL TARTARIC ACID DIBENZOYL D-TATARIC ACID DIBENZOYL-D-TARARIC ACID Dibenzoyl-D-tartaric acid Dibenzoyl-D-tartric Acid dibenzoyl-L-tartaric acid Dibenzoyltartaricanhydride di-O-benzoyl-D-tartaric acid D-TARTARIC ACID 2,3-DIBENZOATE D-TARTARIC ACID 2,3-DIBENZOYL ESTER D-TARTARIC ACID DIBENZOATE EINECS 241-097-1 MFCD00063222 Tartaric acid, dibenzoate
The (+)-Dibenzoyl-D-tartaric acid, with its CAS registry number 17026-42-5, has the IUPAC name of 2,3-dibenzoyloxybutanedioic acid. For being a kind of white to light yellow crystal powder, it is sensitive and hygroscopic and is also insoluble in water. As to its usage, it is usually applied as the intermediate of anthelmintic levamisol, with its product categories including Pharmaceutical Intermediates; Fine Chemical & Intermediates; Chiral Compounds; Substrates; chiral; Chiral chemicals; Hydroxy acids & Deriv.; Chiral Compound.
The characteristics of this chemical are as below: (1)ACD/LogP: 5.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 105.2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 86.31 cm3; (15)Molar Volume: 249.1 cm3; (16)Polarizability: 34.21×10-24 cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 221.8 °C; (20)Enthalpy of Vaporization: 94.8 kJ/mol; (21)Boiling Point: 606.6 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-15 mmHg at 25°C; (23)Exact Mass: 358.068867; (24)MonoIsotopic Mass: 358.068867; (25)Topological Polar Surface Area: 127; (26)Heavy Atom Count: 26; (27)Complexity: 483.
When you are dealing with this chemical, you should be cautious. This chemical is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)
(3)InChIKey: YONLFQNRGZXBBF-UHFFFAOYSA-N?
Eye irritation, Category 2
Pictogram(s) | ![]() |
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Signal word | Warning |
Hazard statement(s) | H319 Causes serious eye irritation |
Precautionary statement(s) | |
Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
Storage | none |
Disposal | none |
none
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