Squaric acid

Modify Date: 2024-01-01 21:43:02

Squaric acid Structure
Squaric acid structure
Common Name Squaric acid
CAS Number 2892-51-5 Molecular Weight 114.056
Density 2.4±0.1 g/cm3 Boiling Point 251.0±50.0 °C at 760 mmHg
Molecular Formula C4H2O4 Melting Point >300 °C(lit.)
MSDS Chinese USA Flash Point 119.8±26.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name squaric acid
Synonym More Synonyms

 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
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

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Squaric acid Structure

Squaric acid

CAS#:2892-51-5

Literature: Cohen et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 3480 Full Text View citing articles Show Details Park et al. Journal of the American Chemical Society, 1962 , vol. 84, p. 2919,2921

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Squaric acid Structure

Squaric acid

CAS#:2892-51-5

Literature: Paine, Anthony James Tetrahedron Letters, 1984 , vol. 25, # 2 p. 135 - 138

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Squaric acid Structure

Squaric acid

CAS#:2892-51-5

Literature: Islam, Nazar-ul; Sopher, David W.; Utley, James H. P. Tetrahedron, 1987 , vol. 43, # 5 p. 959 - 970

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Squaric acid Structure

Squaric acid

CAS#:2892-51-5

Literature: Bou; Pericas; Serratosa Tetrahedron Letters, 1982 , vol. 23, # 3 p. 361 - 364

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Squaric acid Structure

Squaric acid

CAS#:2892-51-5

Literature: Paine, Anthony James Tetrahedron Letters, 1984 , vol. 25, # 2 p. 135 - 138

 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%

 Articles35

More 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...

 Synonyms

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
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