Basic information
- CAS
82419-26-9- Standard SMILES
O=[N+]([O-])c1ccc(F)c(F)c1O- InChIKey
KEGOHDCHURMFKX-UHFFFAOYSA-N- Molecular formula
- C6H3F2NO3
- Average molar mass
- 175.09 g/mol
- Monoisotopic mass
- 175.0080994
Names & identifiers
- Preferred name
- 2,3-Difluoro-6-nitrophenol
- IUPAC
- 2,3-difluoro-6-nitrophenol
- English name
- 2,3-DIFLUORO-6-NITROPHENOL
- Molecular formula
- C6H3F2NO3
- Molecular weight
- 175.09
Names & synonyms
2,3-Difluoro-6-nitrophenol82419-26-9DTXSID30369995RefChem:81640DTXCID10321031624-586-8KEGOHDCHURMFKX-UHFFFAOYSA-NMFCD000422552-hydroxy-3,4-difluoronitrobenzene2,3-difluoro-6-nitro-phenolphenol, 2,3-difluoro-6-nitro-6-Nitro-2,3-difluorophenol
Show more names
uoro-6-nitrophenoLDifluoro-6-nitrophenol2,3-Didluoro-6-nitrophenol2,3-Difluoro-6-nitrophenol>2,3-Difluoro-6-Nitrophenol98%2,3-Difluoro-6-nitrophenol 97%2,3-Difluoro-6-nitrophenol, 99%
2,3 difluoro 6-nitrophenol2-nitro-5,6-difluorophenolSCHEMBL5211662,3 difluoro 6-nitro phenol2,3-difluoro-6- nitrophenol2-hydroxy-3,4 difluoronitrobenzene2,3-Difluoro-6-nitrophenol, 98%SBB063663
Database identifiers
- CAS
82419-26-9- PubChem CID
- 2733745
- DTXSID
DTXSID30369995- EC Number
- 624-586-8
- Nikkaji
- J92.468G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 60 · 60-62 °C (lit.)
- Boiling point
- 215.9 · 215.9±35.0 °C(Predicted)
- Density
- 1.52 · 1.5200 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 4.77 · 4.77±0.37(Predicted)
- color
- White to Light yellow to Green
- BRN
- 4410368 · 4410368
- InChI
- 1S/C6H3F2NO3/c7-3-1-2-4(9(11)12)6(10)5(3)8/h1-2,10H
- InChIKey
- KEGOHDCHURMFKX-UHFFFAOYSA-N
- SMILES
- Oc1c(F)c(F)ccc1[N+]([O-])=O
- CAS DataBase Reference
- 82419 · 82419-26-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29089990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Difluoro-6-nitrophenol was used in the synthesis of 2-methyl-6,7-difluoro-8-oxyquinoline.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [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]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Related reactions
35 records
Compound notes
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