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72235-52-0 molecular structure
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(2,4-difluorophenyl)methanamine

ChemBase ID: 9114
Molecular Formular: C7H7F2N
Molecular Mass: 143.1339864
Monoisotopic Mass: 143.05465567
SMILES and InChIs

SMILES:
NCc1c(F)cc(F)cc1
Canonical SMILES:
NCc1ccc(cc1F)F
InChI:
InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKey:
QDZZDVQGBKTLHV-UHFFFAOYSA-N

Cite this record

CBID:9114 http://www.chembase.cn/molecule-9114.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4-difluorophenyl)methanamine
IUPAC Traditional name
(2,4-difluorophenyl)methanamine
Synonyms
(2,4-Difluorophenyl)methylamine
2,4-Difluorobenzylamine 97%
2,4-Difluorobenzylamine
2,4-Difluorobenzylamine
2,4-Difluorobenzyl amine
(2,4-difluorophenyl)methanamine
2,4-二氟苄胺
2,4-二氟苯甲胺
CAS Number
72235-52-0
EC Number
276-502-0
MDL Number
MFCD00010142
Beilstein Number
3539259
PubChem SID
24856010
160972421
PubChem CID
2733244

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5084088  LogD (pH = 7.4) -0.16481401 
Log P 1.3844181  Molar Refractivity 34.9642 cm3
Polarizability 13.074524 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)
Boiling Point
55-57°C/8mm expand Show data source
55-57°C/8mm expand Show data source
Flash Point
154.4 °F expand Show data source
68 °C expand Show data source
68°C expand Show data source
68°C(154°F) expand Show data source
Density
1.204 expand Show data source
1.204 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.49 expand Show data source
1.490 expand Show data source
1.4910 expand Show data source
n20/D 1.49(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/Store under Argon 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
26-27-36/37/39-45 expand Show data source
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 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
98% expand Show data source
Linear Formula
F2C6H3CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 264377 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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