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Dibenzoyl-L-tartaric acid structure
Dibenzoyl-L-tartaric acid structure

Dibenzoyl-L-tartaric acid

Iupac Name:(2R,3R)-2,3-dibenzoyloxybutanedioic acid
CAS No.: 2743-38-6
Molecular Weight:358.29900
Modify Date.: 2022-11-03 11:15
Introduction: Dibenzoyl-L-tartaric acid is white to light yellow crystal powde View more+
1. Names and Identifiers
1.1 Name
Dibenzoyl-L-tartaric acid
1.2 Synonyms

(-)-DIBENZOYL-L-TARTARIC ACID (2R,3R)-(-)-DIBENZOYL-L-TARTARIC ACID (2R,3R)-(-)-DI-O-BENZOYL-TARTARIC ACID (2R,3R)-2,3-bis(benzoyloxy)butanedioic acid (2R,3R)-2,3-Bis(benzoyloxy)succinic acid (2R,3R)-2,3-Bis(benzoyloxy)succinic acid hydrate (2R,3R)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) (2R,3R)-2,3-Bis[(phenylcarbonyl)oxy]butanedioic acid (2R,3R)-2,3-Bis[(phenylcarbonyl)oxy]butanedioic acid hydrate BENZOYL-L-TARTARICACID BUTANEDIOIC ACID, 2,3-BIS(BENZOYLOXY)-, (2R,3R)- Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, hydrate (1:1) di-1,4-o-benzoyl-l-tartaric acid DIBENZOYL-L-TARARIC ACID Dibenzoyl-L-tartaric DIBENZOYL-L-TARTARIC,I Dibenzoyl-L-tartric Acid DI-O-BENZOYL-L-TARTARIC ACID EINECS 220-374-0 ibenzoyl-L-tartaricacid L-DI-O-BENZOYLTARTARIC ACID MFCD00003074

1.3 CAS No.
2743-38-6
1.4 CID
75969
1.5 EINECS(EC#)
220-374-0
1.6 Molecular Formula
C18H14O8 (isomer)
1.7 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)/t13-,14-/m1/s1
1.8 InChkey
YONLFQNRGZXBBF-ZIAGYGMSSA-N
1.9 Canonical Smiles
C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
1.10 Isomers Smiles
C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
2. Properties
3.1 Density
1.438g/cm3
3.1 Melting point
151-154ºC
3.1 Boiling point
234ºC / 7mmHg
3.1 Refractive index
-116 ° (C=1, EtOH)
3.1 Flash Point
221.8ºC
3.1 Precise Quality
358.06900
3.1 PSA
127.20000
3.1 logP
1.60680
3.1 Appearance
Odorless white crystalline powder
3.2 Storage
Hygroscopic. Ambient temperatures.
3.3 Chemical Properties
Dibenzoyl-L-tartaric acid is white to light yellow crystal powde
3.4 Color/Form
White to Yellow Solid
3.5 pKa
1.85±0.25(Predicted)
3.6 Water Solubility
Slightly soluble
3.7 Stability
Stable under normal temperatures and pressures.
3.8 StorageTemp
Refrigerator
3. Use and Manufacturing
4.1 Usage
Reagent used to produce chiral salts.
4. Safety and Handling
5.1 Symbol
GHS07
5.1 Hazard Codes
Xi
5.1 Signal Word
Warning
5.1 Risk Statements
R36
5.1 Safety Statements
S26-S36
5.1 Hazard Declaration
H319
5.1 RIDADR
NONH for all modes of transport
5.1 Safety Profile
Dibenzoyl-L-tartaric acid is an eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Dibenzoyl-L-tartaric acidSupplier
5.2 Caution Statement
P305 + P351 + P338
5.2 WGK Germany
3
5.2 RTECS
WW8070000
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
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

2.3 Other hazards which do not result in classification

none

8. Precursor and Product
9. Other Information
9.0 BRN
709854
9.1 Chemical Properties
Dibenzoyl-L-tartaric acid is white to light yellow crystal powde
9.2 Uses
Reagent used to produce chiral salts.
9.3 Safety Profile
Dibenzoyl-L-tartaric acid is an eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
9.4 Usage
(-)-Dibenzoyl-L-tartaric acid, anhydrous is used as a reagent used to produce chiral salts. Also used as organic chemical synthesis intermediate.
10. Computational chemical data
  • Molecular Weight: 358.29900g/mol
  • Molecular Formula: C18H14O8
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.6
  • Exact Mass: 358.06886740
  • Monoisotopic Mass: 358.06886740
  • Complexity: 483
  • Rotatable Bond Count: 9
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Topological Polar Surface Area: 127
  • Heavy Atom Count: 26
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADBSgmAIwCIAABgCIAiDSCAICAAAkAAAIiAFACMgJJjaANRyCcQAl4AELqYfLyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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