4-Chloro-2-phenoxyaniline

HCID 246563
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Basic information

CAS
6628-13-3
Standard SMILES
Nc1ccc(Cl)cc1Oc1ccccc1
InChIKey
IGCFDKPYOYTIRB-UHFFFAOYSA-N
Molecular formula
C12H10ClNO
Average molar mass
219.66 g/mol
Monoisotopic mass
219.04509162

Names & identifiers

Preferred name
4-Chloro-2-phenoxyaniline
IUPAC
4-chloro-2-phenoxyaniline
English name
4-Chloro-2-phenoxyaniline
Molecular formula
C12H10ClNO
Molecular weight
219.67

Names & synonyms

4-chloro-2-phenoxyaniline6628-13-3Benzenamine, 4-chloro-2-phenoxy-4-Chloro-2-phenoxy-anilineMFCD24214949CTK5C3994Benzenamine,4-chloro-2-phenoxy-NSC59826SCHEMBL2398857DTXSID90289206IGCFDKPYOYTIRB-UHFFFAOYSA-NGEO-04578
Show more names
NSC 59826
NSC-59826AKOS022187781SB79490SY491125DB-324938F88249F933436

Database identifiers

CAS
6628-13-3
PubChem CID
246563
DTXSID
DTXSID90289206

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
44 °C · 44 °C
Boiling point
98 °C · 98 °C(Press: 0.01 Torr)
Density
1.26 · 1.260±0.06 g/cm3(Predicted)
pka
3.5 · 3.50±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers8 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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