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Orcein

Orcein structure

CAS No:
1400-62-0
Chemical Name:
Orcein
Synonyms:
Orcein
Categories:
Chemical Reagents > Organic Reagents

Description

dark brown crystals or powderChEBI: A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.

Pacein is a member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8. It is a member of dibenzofurans, a polyphenol, a member of resorcinols, a secondary amino compound and a member of quinomethanes.

Orcein Basic Attributes

Molecular Weight：

500.507

Exact Mass：

500.158356

EC Number：

215-750-6

NSC Number：

610930

HScode：

32129000

Characteristics

PSA：

148

XLogP3：

2.9

Density：

1.3224 (rough estimate)

Boiling Point：

591.36°C (rough estimate)

Flash Point：

424.9±32.9 °C

Refractive Index：

1.5800 (estimate)

Water Solubility：

Insoluble in water, benzene, chloroform, ether; soluble in ethanol, acetone, acetic acid; soluble in aqueous alkali;soluble in acetone, alcohol, acetic acid (red color), and dilute aqueous alkali (blue-violet color). Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

37/39-26-24/25

Marks：

Stability/Shelf Life：

Stable.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 43 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS. (See all compounds classified as Coloring Agents.)

MeSH Entry Terms：

orcein

Orcein Use and Manufacturing

Uses

Biological stain.

Manufacturing Info：

Orcein: ACTIVE

Computed Properties

Molecular Weight:500.5
XLogP3:3.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:500.15835111
Monoisotopic Mass:500.15835111
Topological Polar Surface Area:152
Heavy Atom Count:37
Complexity:1010
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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