ChemicalBook--->CAS DataBase List--->116-69-8

116-69-8

116-69-8 Structure

116-69-8 Structure
IdentificationBack Directory
[Name]

3-bromophthalic acid
[CAS]

116-69-8
[Synonyms]

3-bromophthalicaci
3-bromophthalic acid
3-Bromo-1,2-benzenedicarboxylic acid
1,2-Benzenedicarboxylic acid, 3-bromo-
[Molecular Formula]

C8H5BrO4
[MDL Number]

MFCD17069368
[MOL File]

116-69-8.mol
[Molecular Weight]

245.03
Chemical PropertiesBack Directory
[Melting point ]

183-184℃
[Boiling point ]

408.8±40.0 °C(Predicted)
[density ]

1.875
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

1.90±0.10(Predicted)
[InChI]

InChI=1S/C8H5BrO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
[InChIKey]

OIGFNQRFPUUACU-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC=CC(Br)=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315-H302+H312+H332
[Precautionary statements ]

P280-P304+P340-P305+P351+P338
[HS Code ]

2917399590
Spectrum DetailBack Directory
[Spectrum Detail]

3-bromophthalic acid(116-69-8)1HNMR
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