5-Bromoisophthalic acid
Catalog Number
ACM23351919
CAS
23351-91-9
IUPAC Name
5-bromobenzene-1,3-dicarboxylic acid
Synonyms
5-Bromo-1,3-benzenedicarbonicacid,5-Bromo-1,3-benzenedicarboxylicacid,5-Bromoisophthalicacid
Molecular Weight
245.03
Molecular Formula
C8H5BrO4
Product Information
Canonical SMILES
C1=C(C=C(C=C1C(=O)O)Br)C(=O)O
Inchi
1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
JATKASGNRMGFSW-UHFFFAOYSA-N
Melting Point
270-275 °C
Flash Point
Not applicable
Purity
>98.0%(GC)(T)
Appearance
White to Almost white powder to crystal
Complexity
206
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
13
MDL Number
MFCD00152019
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
2450187
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
243.93712g/mol
Exact Mass
243.93712g/mol
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