4-Fluoro-2-phenylaniline

HCID 19089219CAS 1717-22-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(F)cc1-c1ccccc1
InChIKey
JDRKNEMJCQALHM-UHFFFAOYSA-N
Molecular formula
C12H10FN
Average molar mass
187.21 g/mol
Monoisotopic mass
187.07972749

Names & identifiers

Preferred name
4-Fluoro-2-phenylaniline
IUPAC
4-fluoro-2-phenylaniline
English name
5-Fluorobiphenyl-2-amine
Molecular formula
C12H10FN
Molecular weight
187.21

Names & synonyms

4-Fluoro-2-phenylaniline1717-22-25-Fluoro-[1,1'-biphenyl]-2-amine2-amino-5-fluorobiphenyl5-Fluorobiphenyl-2-amine[1,1'-Biphenyl]-2-amine, 5-fluoro-5-Fluoro[1,1'-biphenyl]-2-amineMFCD128240654-fluoro-2-phenyl-anilineSCHEMBL3793169SCHEMBL29492484JDRKNEMJCQALHM-UHFFFAOYSA-
Show more names
DTXSID20597962JDRKNEMJCQALHM-UHFFFAOYSA-NHS-7215CS-0194636E90768F632089InChI=1/C12H10FN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,14H2

Database identifiers

CAS
1717-22-2
PubChem CID
19089219
DTXSID
DTXSID20597962
Nikkaji
J80.300F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
311.7 · 311.7±22.0 °C(Predicted)
Density
1.161 · 1.161±0.06 g/cm3(Predicted)
storage temp.
Store at Room Tem.
pka
3.87 · 3.87±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H303-H320
Precautionary statements
P312-P264-P305+P351+P338-P337+P313

Chemistry & industry

Suppliers6 total

无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

Loading…