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261723-26-6 molecular structure
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(5-chloro-2-fluorophenyl)methanamine

ChemBase ID: 7160
Molecular Formular: C7H7ClFN
Molecular Mass: 159.5885832
Monoisotopic Mass: 159.02510513
SMILES and InChIs

SMILES:
c1(ccc(c(c1)CN)F)Cl
Canonical SMILES:
NCc1cc(Cl)ccc1F
InChI:
InChI=1S/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey:
BFLBLJKULFDOTN-UHFFFAOYSA-N

Cite this record

CBID:7160 http://www.chembase.cn/molecule-7160.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-chloro-2-fluorophenyl)methanamine
IUPAC Traditional name
(5-chloro-2-fluorophenyl)methanamine
Synonyms
5-Chloro-2-fluorobenzylamine
(5-Chloro-2-fluorophenyl)methylamine
2-Fluoro-5-chlorobenzyl amine
5-Chloro-2-fluorobenzylamine
5-氯-2-氟苄胺
CAS Number
261723-26-6
EC Number
000-000-0
MDL Number
MFCD01631440
PubChem SID
160970467
PubChem CID
2773616

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0302093  LogD (pH = 7.4) 0.35129613 
Log P 1.8457608  Molar Refractivity 39.5526 cm3
Polarizability 15.24256 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.536 expand Show data source
1.5360 expand Show data source
Storage Warning
Air Sensitive expand Show data source
CORROSIVE expand Show data source
Corrosive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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