4,4-Bis(3,5-dibromo-4-hydroxyphenyl)valeric acid
Basic information
- CAS
16733-29-2- Standard SMILES
CC(CCC(=O)O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1- InChIKey
OFLOJYUEVWVCRY-UHFFFAOYSA-N- Molecular formula
- C17H14Br4O4
- Average molar mass
- 601.9 g/mol
- Monoisotopic mass
- 597.76256
Names & identifiers
- Preferred name
- 4,4-Bis(3,5-dibromo-4-hydroxyphenyl)valeric acid
- IUPAC
- 4,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid
- English name
- NSC21588
- Molecular formula
- C17H14Br4O4
- Molecular weight
- 601.91
Names & synonyms
4,4-BIS(3,5-DIBROMO-4-HYDROXYPHENYL)VALERIC ACIDRefChem:507197683-568-84,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acidNSC2158816733-29-2NSC-21588NCIStruc1_000405NCIStruc2_000107CHEMBL1611308SCHEMBL14286207DTXSID40281412
Show more names
Benzenebutanoic acid, 3,5-dibromo-γ-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-γ-methyl-
NCI21588CCG-36336NCGC00013277AKOS024428966Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl-NCGC00013277-02NCGC00096396-01NCI60_001803
Database identifiers
- CAS
16733-29-2- PubChem CID
- 228569
- DTXSID
DTXSID40281412- ChEMBL
CHEMBL1611308- EC Number
- 683-568-8
- Nikkaji
- J1.339.738D
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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