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488-48-2

488-48-2 Structure

488-48-2 Structure
IdentificationMore
[Name]

BROMANIL
[CAS]

488-48-2
[Synonyms]

BROMANIL
P-BROMANIL
P-BROMOANIL
TETRABROMO-1,4-BENZOQUINONE
TETRABROMO-P-BENZOQUINONE
2,3,5,6-Tetrabromo-1,4-benzoquinone
2,3,5,6-Tetrabromobenzo-1,4-quinone
2,3,5,6-tetrabromo-p-benzoquinon
2,3,5,6-Tetrabromo-p-benzoquinone
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrabromo-
2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrabromo-
4-dione,2,3,5,6-tetrabromo-5-cyclohexadiene-1
bromanyl
p-Benzoquinone, 2,3,5,6-tetrabromo-
p-Benzoquinone,2,3,5,6-tetrabromo-
tetrabromobenzoquinone
tetrabromo-p-benzoquinon
tetrabromo-p-quinon
tetrabromo-p-quinone
Tetrabromoquinone
[EINECS(EC#)]

207-679-4
[Molecular Formula]

C6Br4O2
[MDL Number]

MFCD00013785
[Molecular Weight]

423.68
[MOL File]

488-48-2.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[Melting point ]

292-294 °C(lit.)
[Boiling point ]

340.5±42.0 °C(Predicted)
[density ]

3.127±0.06 g/cm3(Predicted)
[storage temp. ]

Store below +30°C.
[solubility ]

Acetone (Slightly), DMSO (Slightly)
[form ]

Crystalline Powder
[color ]

Yellow
[BRN ]

1912183
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
[InChIKey]

LWHDQPLUIFIFFT-UHFFFAOYSA-N
[SMILES]

C1(=O)C(Br)=C(Br)C(=O)C(Br)=C1Br
[CAS DataBase Reference]

488-48-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P304+P340-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DK6772500
[HazardClass ]

IRRITANT
[HS Code ]

29147000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

A halogenated benxoquinone that is an effective inhibitor of photosynthetic electron transport through the spinach photosystem II and the cytochrome b6/f-complex.
[References]

[1] Ueda, I. “The Crystal Structure of Chloranil and Bromanil.” Journal of the Physical Society of Japan 16 1 (1961): 1185–1194.
[structure and hydrogen bonding]

Chioranil and bromanil are isomorphous. The cell constants are a0 =8.624 , b0 =6.173 , c0 =9.027Å, β=74.2° for bromanil. There are two molecules in the unit cell, and the space group is P 21/ a ( C 25h ). The crystal consists of two layers of substituted halogen atoms which are parallel to the (001) plane, and the skeletons consisting of oxygen and carbon atoms lie between these two layers[1].
Spectrum DetailBack Directory
[Spectrum Detail]

Bromanil(488-48-2)MS
Bromanil(488-48-2)IR1
Bromanil(488-48-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tetrabromo-p-benzoquinone, 95%(488-48-2)
[Alfa Aesar]

p-Bromanil, 95%(488-48-2)
[Sigma Aldrich]

488-48-2(sigmaaldrich)
[TCI AMERICA]

Bromanil,>98.0%(T)(488-48-2)
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