2-Butenedioic acid,2,3-dihydroxy-, (2E)- supplier

Name
DIHYDROXYFUMARIC ACID
EINECS 205-106-2
CAS No. 133-38-0
Article Data8
CAS DataBase
Density 2.055 g/cm³
Solubility
Melting Point 156 °C (dec.)(lit.)
Formula C₄H₄O₆
Boiling Point 387.318 °C at 760 mmHg
Molecular Weight 148.072
Flash Point 202.213 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenedioicacid, 2,3-dihydroxy-, (E)-;NSC 20941;
PSA 115.06000
LogP -0.51680

2-Butenedioic acid,2,3-dihydroxy-, (2E)- Specification

The 2-Butenedioic acid, 2, 3-dihydroxy-, (2E)-, with the CAS registry number 133-38-0, is also known as (2E)-2, 3-Dihydroxy-2-butenedioic acid. Its EINECS registry number is 205-106-2. This chemical's molecular formula is C₄H₄O₆ and molecular weight is 148.07. What's more, its systematic name is (2E)-2, 3-Dihydroxybut-2-enedioic acid. This chemical's classification code is Drug / Therapeutic Agent. In addition, it must be stored at 2-8 °C. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about 2-Butenedioic acid, 2, 3-dihydroxy-, (2E)- are: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 115.06 Å²; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 26.523 cm³; (13)Molar Volume: 72.043 cm³; (14)Polarizability: 10.514×10^-24 cm³; (15)Surface Tension: 140.251 dyne/cm; (16)Density: 2.055 g/cm³; (17)Flash Point: 202.213 °C; (18)Enthalpy of Vaporization: 73.592 kJ/mol; (19)Boiling Point: 387.318 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(\O)=C(/O)C(O)=O
(2) InChI: InChI=1/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)/b2-1+
(3) InChIKey: BZCOSCNPHJNQBP-OWOJBTEDBN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	6gm/kg (6000mg/kg)		Bollettino Chimico Farmaceutico. Vol. 101, Pg. 903, 1962.

Product Name

DIHYDROXYFUMARIC ACID

2-Butenedioic acid,2,3-dihydroxy-, (2E)- Specification

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