Squaric acid
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
Precursor & DownStream
Precursor
DownStream
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
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...