5-Bromo-6-hydroxy-1,3-benzodioxole
Basic information
- CAS
6941-70-4- Standard SMILES
Oc1cc2c(cc1Br)OCO2- InChIKey
TUYBCLHMZFLWRY-UHFFFAOYSA-N- Molecular formula
- C7H5BrO3
- Average molar mass
- 217.02 g/mol
- Monoisotopic mass
- 215.94221
Names & identifiers
- Preferred name
- 5-Bromo-6-hydroxy-1,3-benzodioxole
- IUPAC
- 6-bromo-1,3-benzodioxol-5-ol
- English name
- 6-bromo-1,3-Benzodioxol-5-ol
- Molecular formula
- C7H5BrO3
- Molecular weight
- 217.02
Names & synonyms
5-Bromo-6-hydroxy-1,3-benzodioxoleRefChem:533845696-256-16941-70-46-Bromobenzo[d][1,3]dioxol-5-ol6-bromo-1,3-benzodioxol-5-olMFCD213644311,3-Benzodioxol-5-ol,6-bromo-6-bromo-1,3-dioxaindan-5-olNSC225756-BROMO-2H-1,3-BENZODIOXOL-5-OLSCHEMBL453186
Show more names
SCHEMBL30513558DTXSID902817052-bromo-4,5-methylenedioxyphenolTUYBCLHMZFLWRY-UHFFFAOYSA-NNSC 22575NSC-22575AS-78384SY247186
Database identifiers
- CAS
6941-70-4- PubChem CID
- 229148
- DTXSID
DTXSID90281705- EC Number
- 696-256-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- form
- powder to crystal
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2932.99 · 2932.99.6100
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, 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 2 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
- hs_code
- 2932.99.6100
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
1 records
Compound notes
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