Basic information
- CAS
399-96-2- Standard SMILES
Nc1ccc(O)c(F)c1- InChIKey
MXJQJURZHQZLNN-UHFFFAOYSA-N- Molecular formula
- C6H6FNO
- Average molar mass
- 127.12 g/mol
- Monoisotopic mass
- 127.04334203
Names & identifiers
- Preferred name
- Phenol, 4-amino-2-fluoro-
- IUPAC
- 4-amino-2-fluorophenol
- English name
- 4-AMINO-2-FLUOROPHENOL
- Molecular formula
- C6H6FNO
- Molecular weight
- 127.12
Names & synonyms
4-Amino-2-fluorophenol399-96-2Phenol, 4-amino-2-fluoro-DTXSID20192951RefChem:861248DTXCID60115442642-473-13-Fluoro-4-hydroxyaniline2-fluoro-4-aminophenol4-amino-2-fluoro-phenolMFCD00671760Aprobarbital-d7
Show more names
4-Amino-2-fluorophenol 98%4-Amino-2-fLAntipyrine Impurity 7Regorafenib Impurity 784-Amino-2-fluorophenol98%4-Amino-2-fluorophenol >
3-Fluoro-4-hydroxyaniline; 2-Fluoro-4-aminophenol4-amino-2-fluoro phenolSCHEMBL337131216516-90-3SCHEMBL3024777SCHEMBL23929252CL8498SBB028226
Database identifiers
- CAS
399-96-2- PubChem CID
- 2735918
- DTXSID
DTXSID20192951- EC Number
- 642-473-1
- Nikkaji
- J647.717H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 170 · 170-172°C
- Boiling point
- 263.3 · 263.3±25.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator, Under Inert Atmosphere
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 8.97 · 8.97±0.18(Predicted)
- color
- Brown
- InChI
- InChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
- InChIKey
- MXJQJURZHQZLNN-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(N)C=C1F
- CAS DataBase Reference
- 399 · 399-96-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H302 (90.9%): 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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
Safety data
- hs_code
- 2922290090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Amino-2-fluorophenol is an reagent used in various synthetic preparations such as the synthesis of Amodiaquine (A634200), an antimalarial agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
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]
绍兴恒创合益生物科技有限公司15158234258 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
114 records
Compound notes
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