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方酸

方酸名称

[ CAS 号 ]:
2892-51-5

[ 中文名 ]:
方酸

[ 英文名 ]:
Squaric acid

[中文别名 ]:

[英文别名 ]:

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

方酸物理化学性质

[ 密度 ]:
2.4±0.1 g/cm3

[ 沸点 ]:
251.0±50.0 °C at 760 mmHg

[ 熔点 ]:
>300 °C(lit.)

[ 分子式 ]:
C₄H₂O₄

[ 分子量 ]:
114.056

[ 闪点 ]:
119.8±26.6 °C

[ 精确质量 ]:
113.995308

[ PSA ]:
74.60000

[ LogP ]:
-1.70

[ 外观性状 ]:
具强酸性，其pKl=1.5；pK2=3.5。与三氯化铁水溶液产生深紫色。可被溴及高锰酸钾氧化，与苯肼无反应。性质与羧酸相似，可与碱成盐，可生成酯、酰氯、酰胺及混合酸酐。水中溶解度:20 G/L (30°C)。熔点:300 °C 闪点:190 °C

[ 蒸汽压 ]:
0.0±1.1 mmHg at 25°C

[ 折射率 ]:
1.872

[ 储存条件 ]:
-20°C

[ 水溶解性 ]:
20 g/L (30 ºC)

方酸毒性和生态

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

方酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H317-H319-H335

[ 警示性声明 ]:
P261-P280-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ 危害码 (欧洲) ]:
Xi

[ 风险声明 (欧洲) ]:
R36/37/38:Irritating to eyes, respiratory system and skin . R43:May cause sensitization by skin contact.

[ 安全声明 (欧洲) ]:
S26-S36-S37/39

[ 危险品运输编码 ]:
3261

[ WGK德国 ]:
3

[ RTECS号 ]:
GU1800000

[ 包装等级 ]:
II

[ 危险类别 ]:
8

[ 海关编码 ]:
29144090

方酸合成路线

详细合成路线

方酸上下游产品

方酸上游产品

方酸下游产品

方酸海关

[ 海关编码 ]: 2914400090

[ 中文概述 ]:
2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装

[ 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%

方酸文献

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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方酸