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85118-06-5 molecular structure
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(2,5-difluorophenyl)methanamine

ChemBase ID: 9117
Molecular Formular: C7H7F2N
Molecular Mass: 143.1339864
Monoisotopic Mass: 143.05465567
SMILES and InChIs

SMILES:
NCc1c(F)ccc(c1)F
Canonical SMILES:
NCc1cc(F)ccc1F
InChI:
InChI=1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey:
GDFBHCMFIUBEQT-UHFFFAOYSA-N

Cite this record

CBID:9117 http://www.chembase.cn/molecule-9117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-difluorophenyl)methanamine
IUPAC Traditional name
(2,5-difluorophenyl)methanamine
Synonyms
2,5-Difluorobenzyl amine
2,5-Difluorobenzylamine
2,5-Difluorobenzylamine
2,5-Difluorobenzylamine 97%
(2,5-difluorophenyl)methanamine
2,5-二氟苄胺
CAS Number
85118-06-5
EC Number
285-658-9
MDL Number
MFCD00010143
Beilstein Number
3539280
PubChem SID
24856011
160972424
PubChem CID
123589

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.4772531 
LogD (pH = 7.4) -0.0673065  Log P 1.3844181 
Molar Refractivity 34.9642 cm3 Polarizability 13.074896 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
76-78°C/15mm expand Show data source
76-78°C/15mm expand Show data source
Flash Point
168.8 °F expand Show data source
75°C expand Show data source
75°C(167°F) expand Show data source
76 °C expand Show data source
Density
1.222 expand Show data source
1.222 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.495 expand Show data source
1.4950 expand Show data source
n20/D 1.495(lit.) expand Show data source
Hydrophobicity(logP)
1.38 expand Show data source
Storage Warning
Air Sensitive expand Show data source
CORROSIVE expand Show data source
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
26-27-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 3 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Linear Formula
F2C6H3CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 264385 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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