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Basic information
- CAS
60632-40-8- Standard SMILES
COc1cc(C=O)c(Br)cc1O- InChIKey
FVNRNBGSHCWQPD-UHFFFAOYSA-N- Molecular formula
- C8H7BrO3
- Average molar mass
- 231.04 g/mol
- Monoisotopic mass
- 229.95786
Names & identifiers
- Preferred name
- Vanillin, 6-bromo-
- IUPAC
- 2-bromo-4-hydroxy-5-methoxybenzaldehyde
- English name
- 6-Bromovanillin
- Molecular formula
- C8H7BrO3
- Molecular weight
- 231.04
Names & synonyms
60632-40-8Vanillin, 6-bromo-2-bromo-4-hydroxy-5-methoxy-benzaldehydeDTXSID10209441RefChem:901715DTXCID30131932633-067-52-BROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE6-BromovanillinMFCD011191282-Bromo-4-hydroxy-5-methoxybenzaldehyde; 6-Bromovanillin;Benzaldehyde, 2-bromo-4-hydroxy-5-methoxy-
Show more names
AKOS B0041676-BromovanilinCHEMBRDG-BB 3004167ART-CHEM-BB B0041672-bromo-4-hydroxy-5-methoxybenzaldehyde(SALTDATA: FREE)6-BROMOVANILLIN/2-BROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE
Vanillin, 6-bromo-,orb1818979orb2900205SCHEMBL1645586FVNRNBGSHCWQPD-UHFFFAOYSA-NALBB-001376BBL013991SBB019880
Database identifiers
- CAS
60632-40-8- PubChem CID
- 43376
- DTXSID
DTXSID10209441- EC Number
- 633-067-5
- Nikkaji
- J451.259F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- 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
- 178 °C · 178 °C
- Boiling point
- 326.2 · 326.2±37.0 °C(Predicted)
- Density
- 1.653 · 1.653±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform, DCM, Ethyl Acetate
- form
- Solid
- pka
- 6.83 · 6.83±0.23(Predicted)
- color
- Brown
- CAS DataBase Reference
- 60632 · 60632-40-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses6-Bromovanillin is used in the synthesis of Carbidopa (C175915), an inhibitor of aromatic amino acid decarboxylase.
Upstream & downstream products
Upstream raw materials
Suppliers84 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
广州理文科技有限公司18028686850 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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