2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

Basic Information

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CAS Number

29512-49-0

Molecular Formula

C31H28N2O3

Molecular Weight

476.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

192-196°C

Boiling Point

673.9±55.0°C at 760 mmHg

Density

1.3

Flash Point

361.3 °C

SMILES

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CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C

InChI

InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3

InChIKey

WQFYAGVHZYFXDO-UHFFFAOYSA-N

LogP

7.152820000000006

Topological Polar Surface Area

50.800000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

780

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

D83867
WQFYAGVHZYFXDO-UHFFFAOYSA-N
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-
Fluoran, 2'-anilino-6'-(diethylamino)-3'-methyl-
tricetylamine
3'-(Diethylamino)-6'-methyl-7'-anilinofluoran
MFCD00603523
A819944
CS-0139843
FT-0658294
3'-(DIETHYLAMINO)-6'-METHYL-7'-(PHENYLAMINO)-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-3-ONE
7-Anilino-3-diethylamino-6-methyl fluoran
2'-anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-
2-Anilino-3-methyl-6-diethylaminofluoran
UNII-8C4BY0JL9A
Q27270169
AKOS000447886
AMY21792
2'-Anilino-6'-(diethylamino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
2'-Anilino-6'-(diethylamino)-3'-methylfluoran
6'-(diethylamino)-3'-methyl-2'-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
8C4BY0JL9A
One Dye Black 1
NS00022003
29512-49-0
THDA
2'-anilino-6'-(diethylamino)-3'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one
DTXSID0029347
AKOS024373831
7-Anilino-3-diethylamino-6-methylfluoran

MDL Number

MFCD00603523

FAQ

What is 2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 29512-49-0)?

2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one is a complex organic compound with a unique molecular structure. It is characterized by its aromatic rings and side chains, making it valuable in various applications. The compound is used in pharmaceuticals and dye manufacturing due to its chemical properties.

What are the main uses of 2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 29512-49-0)?

2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one is primarily used in the pharmaceutical industry for developing colorimetric reagents and in dye manufacturing to produce vibrant colors. It also finds applications in research for its unique chemical properties.

Is 2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 29512-49-0) safe?

2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one is generally considered safe for its intended applications. However, it is important to follow proper handling procedures and use appropriate personal protective equipment to avoid skin contact and inhalation. Storage in a cool, dry place is recommended.

How should 2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 29512-49-0) be stored?

2'-Anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to air and moisture. Avoid contact with incompatible materials such as strong oxidizers or acids.