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Squaric acid

Squaric acid structure

CAS No:
2892-51-5
Formula:
C4H2O4
Chemical Name:
Squaric acid
Synonyms:
3-Cyclobutene-1,2-dione,3,4-dihydroxy-;Cyclobutenedione,dihydroxy-;3,4-Dihydroxy-3-cyclobutene-1,2-dione;Quadratic acid;Squaric acid;1,2-Diketo-3,4-dihydroxycyclobutene;1,2-Dihydroxycyclobutene-3,4-dione;3,4-Dihydroxycyclobutene-1,2-dione;1,2-Dihydroxy-1-cyclobutene-3,4-dione;NSC 125692;NSC 624671;3,4-Dioxocyclobut-1-ene-1,2-diol;94592-78-6
Categories:
Chemical Reagents > Organic Reagents

Description

White powder

Squaric acid is a carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4. It has a role as a metabolite. It is a carbon oxoacid and an alicyclic ketone. It is a conjugate acid of a hydrogensquarate.

Squaric acid Basic Attributes

Molecular Weight：

114.06

Exact Mass：

114.06

EC Number：

220-761-4

UNII：

SVR9D0VODW

NSC Number：

624671|125692

DSSTox ID：

DTXSID9049409

HScode：

2914400090

Characteristics

PSA：

74.6

XLogP3：

-0.7

Appearance：

White powder

Density：

2.4±0.1 g/cm3

Melting Point：

300 °C (decomp)

Flash Point：

119.8±26.6 °C

Refractive Index：

1.872

Water Solubility：

20 g/L (30 ºC)

Safety Information

Packing level：

Hazard category：

Transport codes：

3261

wgk germany：

hazard class code：

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

safety instructions：

S26-S36-S37/39

RTECS Number：

GU1800000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H317-H319-H335

GHS Classification：

|Warning|H315 (72.41%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 58 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

squaric acid

Squaric acid Use and Manufacturing

Uses

Squaric acid used as intermediate for squaraine dyes and heterocycles. Product Data Sheet

Manufacturing Info：

3-Cyclobutene-1,2-dione, 3,4-dihydroxy-: ACTIVE

Computed Properties

Molecular Weight:114.06
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:113.99530854
Monoisotopic Mass:113.99530854
Topological Polar Surface Area:74.6
Heavy Atom Count:8
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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