Basic information
- CAS
61559-82-8- Standard SMILES
COc1ccc(Br)c(O)c1O- InChIKey
FRPLUCSOQCYPPX-UHFFFAOYSA-N- Molecular formula
- C7H7BrO3
- Average molar mass
- 219.03 g/mol
- Monoisotopic mass
- 217.95785618
Names & identifiers
- Preferred name
- 3-Bromo-6-methoxybenzene-1,2-diol
- IUPAC
- 3-bromo-6-methoxybenzene-1,2-diol
- English name
- 1,2-Benzenediol, 3-bromo-6-methoxy-
- Molecular formula
- C7H7BrO3
- Molecular weight
- 219.03
Names & synonyms
3-bromo-6-methoxybenzene-1,2-diol61559-82-8DTXSID20395304RefChem:277660DTXCID103461633-BROMO-6-METHOXY-1,2-BENZENEDIOLMFCD034146851,2-Benzenediol, 3-bromo-6-methoxy3-bromo-6-methoxy-benzene-1,2-diol1-Bromo-2,3dihydroxy-4methoxy-benzene3-Bromo-6-methoxycatecholCHEMBL90249
Show more names
1,2-Benzenediol, 3-bromo-6-methoxy-
SCHEMBL2588497WLZ3614FRPLUCSOQCYPPX-UHFFFAOYSA-NLCA55982AKOS0240895351-bromo-2,3-dihydroxy-4-methoxy-benzeneAS-43555SY243200
Database identifiers
- CAS
61559-82-8- PubChem CID
- 3705874
- DTXSID
DTXSID20395304- ChEMBL
CHEMBL90249- EC Number
- 103-484-2
- Nikkaji
- J1.707.310I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
安徽敬同药业股份有限公司13675155016 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
12 records
Compound notes
Loading…