Squaric acid

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Names

[ CAS No. ]:
2892-51-5

[ Name ]:
Squaric acid

[Synonym ]:
SQUARICACIDDIBUTYLESTERS
EINECS 220-761-4
Squaric acid
dihydroxy-cyclobutenedion
Quadratic acid
3,4-Dihydroxycyclobut-3-en-1,2-dion
1-Cyclobutene-3,4-dione-1,2-diol
3-Cyclobutene-1,2-dione, 3,4-dihydroxy-
2-dione
3,4-Dihydroxycyclobut-3-ene-1,2-dione
Squaric
DIKETOCYCLOBUTENEDIOL
dihydroxycyclobutenedione
MFCD00001334
3,4-Dihydroxy-3-cyclobutene-1,2-dione
SQUARC ACID

Chemical & Physical Properties

[ Density]:
2.4±0.1 g/cm3

[ Boiling Point ]:
251.0±50.0 °C at 760 mmHg

[ Melting Point ]:
>300 °C(lit.)

[ Molecular Formula ]:
C4H2O4

[ Molecular Weight ]:
114.056

[ Flash Point ]:
119.8±26.6 °C

[ Exact Mass ]:
113.995308

[ PSA ]:
74.60000

[ LogP ]:
-1.70

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.872

[ Storage condition ]:
-20°C

[ Water Solubility ]:
20 g/L (30 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU1800000
CHEMICAL NAME :
Cyclobutene-1,2-dione, 3,4-dihydroxy-
CAS REGISTRY NUMBER :
2892-51-5
BEILSTEIN REFERENCE NO. :
0774275
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H2-O4
MOLECULAR WEIGHT :
114.06
WISWESSER LINE NOTATION :
L4VVTJ CQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
368 mg/kg/92W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 46,143,1971

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H317-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38:Irritating to eyes, respiratory system and skin . R43:May cause sensitization by skin contact.

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
3261

[ WGK Germany ]:
3

[ RTECS ]:
GU1800000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
29144090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2-diethoxy-3,3,4,4-tetrafluoro-cyclobutene
  • 3-hydroxy-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
  • poly-silver(I) squarate
  • 3,4-Di(tert-butoxy)-3-cyclobutene-1,2-dione
  • 2,4,4-trichloro-3-(morpholin-4-yl)-2-cyclobuten-1-one

DownStream

  • (4Z)-3-oxo-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuten-1-olate
  • Octahydroxycyclobutane
  • 3,4-Dichlorocyclobutene-1,2-dione
  • Quinolinium,1-ethyl-2-[[3-[(1-ethyl-2(1H)-quinolinylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene]methyl]-,inner salt
  • Dibutyl squarate
  • Diethyl squarate
  • 3,4-Di(tert-butoxy)-3-cyclobutene-1,2-dione
  • Dimethyl squarate
  • 3-hydroxy-4-(2-hydroxyanilino)cyclobut-3-ene-1,2-dione
  • 3,4-dianilinocyclobut-3-ene-1,2-dione

Customs

[ HS Code ]: 2914400090

[ Summary ]:
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

A fluorescence high throughput screening method for the detection of reactive electrophiles as potential skin sensitizers.

Toxicol. Appl. Pharmacol. 289 , 177-84, (2015)

Skin sensitization is an important toxicological end-point in the risk assessment of chemical allergens. Because of the complexity of the biological mechanisms associated with skin sensitization, inte...

Chiral squaramide derivatives are excellent hydrogen bond donor catalysts.

J. Am. Chem. Soc. 130(44) , 14416-7, (2008)

Thioureas represent the dominant platform for hydrogen bond promoted asymmetric catalysts. A large number of reactions, reported in scores of publications, have been successfully promoted by chiral th...

Strategies for optimizing the performance of carbazole thiophene appended unsymmetrical squaraine dyes for dye-sensitized solar cells.

Phys. Chem. Chem. Phys. 17 , 23095-103, (2015)

Unsymmetrical squaraine dyes (CTSQ-1 and CTSQ-2) with carbazole thiophene donor units were synthesized, characterized and used as sensitizers in dye-sensitized solar cells (DSSCs). These squaraines ex...


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Related Compounds

  • squaric acid-d2
  • Squaric acid monochloride
  • Squaric acid dibutylester
  • Squaric Acid Diethyl Ester
  • squaric acid dibutyl ester
  • squaric acid dibutyl ester
  • 1-(2,3,3-Trimethylbutyl)-1H-imidazol-2-amine
  • 2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
  • N-(Pent-4-YN-1-YL)cyclobutanamine
  • 1-(2,4-Dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethan-1-one
  • (7r,8s)-Rel-(+)-7,8-dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol
  • 1-(3-Hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-2-one
  • 6-[4-[[4-(Hexyloxy)phenyl]diazenyl]phenoxy]hexyl Acrylate
  • 1-(4-Chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethan-1-one
  • (4-Benzoyl-1-methyl-5-methylsulfanyl-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)-acetic acid
  • 1-(4-Fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethan-1-one
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