Basic information
- CAS
918523-99-6- Standard SMILES
O=Cc1cc(F)c(O)cc1F- InChIKey
FFPHRYLGIPAZBL-UHFFFAOYSA-N- Molecular formula
- C7H4F2O2
- Average molar mass
- 158.1 g/mol
- Monoisotopic mass
- 158.01793569
Names & identifiers
- Preferred name
- 2,5-Difluoro-4-hydroxybenzaldehyde
- IUPAC
- 2,5-difluoro-4-hydroxybenzaldehyde
- English name
- 2,5-Difluoro-4-hydroxybenzaldehyde
- Molecular formula
- C7H4F2O2
- Molecular weight
- 158.1
Names & synonyms
2,5-Difluoro-4-hydroxybenzaldehyde918523-99-6DTXSID30620952RefChem:444384DTXCID60571706MFCD041125212,5-difluoro-4-hydroxy-benzaldehydeSCHEMBL415162CL8247AKOS005255151CS-W0143334-hydroxy-2,5-difluorobenzaldehyde
Show more names
CAS:918523-99-6Benzaldehyde, 2,5-difluoro-4-hydroxy-
AM84051BBL103825STL557635AS-4600FD67028AS-46006SY104444DB-011355
Database identifiers
- CAS
918523-99-6- PubChem CID
- 21966462
- DTXSID
DTXSID30620952- EC Number
- 618-795-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 145 · 145-148℃
- Boiling point
- 232.1 · 232.1±35.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 5.54 · 5.54±0.23(Predicted)
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H4F2O2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H
- InChIKey
- FFPHRYLGIPAZBL-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(F)=C(O)C=C1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- HS Code
- 2913000090 · 2913000090
Safety & regulation
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 5 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
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Difluoro-4-hydroxybenzaldehyde is used as primary and secondary intermediate and as pharmaceutical intermediate.
Suppliers63 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
西安瑞成医药科技有限责任公司18291828687 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
2 records
Compound notes
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