ChemicalBook--->CAS DataBase List--->81-96-9

81-96-9

81-96-9 Structure

81-96-9 Structure
IdentificationMore
[Name]

3-Bromobenzanthrone
[CAS]

81-96-9
[Synonyms]

3-BROMO-7H-BENZ(DE)ANTHRACENE-7-ONE
3-BROMOBENZANTHRONE
3-bromobenz[de]anthracen-7-one
3-BROMO-BENZO[DE]ANTHRACEN-7-ONE
BROMOBENZANTHRONE(3-)
3-Brmobenzanthrone
3-Brombenzanthrone
3-bromo-7h-benz(de)anthracen-7-on
3-Bromo-7H-benz(de)anthracen-7-one
3-bromo-7h-benz[de]anthracen-7-on
3-bromo-7H-Benz[de]anthracen-7-one
3-Bromo-7H-benzo[de]anthracen-7-one
3-bromobenz(d,e)anthrone
3-Bromobenz[de]anthrone
7-Bromomesobenzanthrone
7H-Benz[de]anthracen-7-one,3-bromo-
7H-Benz[de]anthracene-7-one, 3-bromo-
7H-benz[de]anthracene-7-one,3-bromo-
Benzanthrone, 3-bromo-
3-bromo-6aH-benzo[de]anthracen-7(8H)-one
[EINECS(EC#)]

201-390-7
[Molecular Formula]

C18H11BrO
[MDL Number]

MFCD00021094
[Molecular Weight]

323.18
[MOL File]

81-96-9.mol
Chemical PropertiesBack Directory
[Melting point ]

164-166°C
[Boiling point ]

483.0±14.0 °C(Predicted)
[density ]

1.4294 (rough estimate)
[refractive index ]

1.5130 (estimate)
[BRN ]

1975512
[InChI]

InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
[InChIKey]

WVECFEIAZAKUNF-UHFFFAOYSA-N
[SMILES]

C1=C2C3=C(C=CC(Br)=C3C=C1)C1=C(C2=O)C=CC=C1
[CAS DataBase Reference]

81-96-9(CAS DataBase Reference)
[NIST Chemistry Reference]

7H-Benz[de]anthracen-7-one, 3-bromo-(81-96-9)
[EPA Substance Registry System]

81-96-9(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
[RTECS ]

CX5077000
[TSCA ]

Yes
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzanthrone-->Nitrobenzene-->Iodine-->Sulfuryl chloride-->Methanol-->Acetic acid-->Hydrogen peroxide-->Hydrogen bromide
[Preparation Products]

Solvent Orange 63-->DIBENZANTHRONE-->3-methoxy-7H-benz[de]anthracen-7-one-->Vat Green 3-->anthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione-->Benzamide, N-(5,10,15,16-tetrahydro-5,10,15-trioxoanthra[2,1,9-mna]naphth[2,3-h]acridin-11-yl)-, chloro derivs.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromobenzanthrone(81-96-9).msds
Hazard InformationBack Directory
[Uses]

3-Bromo-7H-benz[de]anthracen-7-one is used as a starting material in the preparation of terrylenimide near-IR fluorescent dyes.
[Synthesis]

3-Bromobenzanthrone is prepared by bromination in hydrochloric acid ; process improvement is described in .
[References]

[1] Tetrahedron Letters, 2017, vol. 58, # 26, p. 2608 - 2613
[2] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 921 - 928
[3] J. Soc. chem. Ind. Japan Spl., 1939, vol. 42, p. 316
[4] Patent: US2180835, 1938,
[5] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 20, p. 1370
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Bromobenzanthrone, tech. 85%(81-96-9)
[Sigma Aldrich]

81-96-9(sigmaaldrich)
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