Basic information
- CAS
50343-02-7- Standard SMILES
COc1cc(Br)c(O)c(C=O)c1- InChIKey
BSLKYCQDKAAGGV-UHFFFAOYSA-N- Molecular formula
- C8H7BrO3
- Average molar mass
- 231.04 g/mol
- Monoisotopic mass
- 229.95785618
Names & identifiers
- Preferred name
- 3-Bromo-2-hydroxy-5-methoxybenzaldehyde
- IUPAC
- 3-bromo-2-hydroxy-5-methoxybenzaldehyde
- English name
- 3-Bromo-2-hydroxy-5-methoxybenzaldehyde
- Molecular formula
- C8H7BrO3
- Molecular weight
- 231.04
Names & synonyms
3-bromo-2-hydroxy-5-methoxybenzaldehyde50343-02-7DTXSID90352843RefChem:277318DTXCID00303907622-189-43-Bromo-2-hydroxy-5-methoxybenzenecarbaldehydeMFCD000919383-bromo-2-hydroxy-5-methoxy-benzaldehydeASISCHEM D29261SCHEMBL931983AKOS BB-6949
Show more names
BSLKYCQDKAAGGV-UHFFFAOYSA-NSBB097687STL405615AKOS000112590BP-11734SY185283DB-022317Benzaldehyde, 3-bromo-2-hydroxy-5-methoxy-
Database identifiers
- CAS
50343-02-7- PubChem CID
- 735818
- DTXSID
DTXSID90352843- EC Number
- 622-189-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 108 · 108-110°C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C8H7BrO3/c1-12-6-2-5(4-10)8(11)7(9)3-6/h2-4,11H,1H3
- InChIKey
- BSLKYCQDKAAGGV-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(OC)=CC(Br)=C1O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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 40 reports by companies from 3 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_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers26 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
天津佶品佳化工科技有限公司18622448868 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
苏州名德生物科技有限公司13915541704 · [email protected]
苏州斯凯诺森生物科技有限公司19951323309 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖南嘉航医药科技有限公司85567275 15200744171 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
8 records
Compound notes
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