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175277-93-7 molecular structure
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2-(aminomethyl)-3-fluoroaniline

ChemBase ID: 10391
Molecular Formular: C7H9FN2
Molecular Mass: 140.1581632
Monoisotopic Mass: 140.07497652
SMILES and InChIs

SMILES:
c1ccc(c(c1F)CN)N
Canonical SMILES:
NCc1c(N)cccc1F
InChI:
InChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2
InChIKey:
KBIXYFABFIYSAU-UHFFFAOYSA-N

Cite this record

CBID:10391 http://www.chembase.cn/molecule-10391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(aminomethyl)-3-fluoroaniline
IUPAC Traditional name
2-(aminomethyl)-3-fluoroaniline
Synonyms
2-(aminomethyl)-3-fluoroaniline
2-Aminomethyl-6-fluoroaniline
2-Amino-6-fluorobenzylamine
2-Amino-6-fluorobenzylamine
2-(Aminomethyl)-3-fluoroaniline 97%
2-Amino-6-fluorobenzylamine
2-氨基-6-氟苄胺
CAS Number
175277-93-7
MDL Number
MFCD00042483
Beilstein Number
8900865
PubChem SID
160973698
24878562
PubChem CID
578998

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3568416  LogD (pH = 7.4) -0.8175807 
Log P 0.41279024  Molar Refractivity 39.4482 cm3
Polarizability 14.490833 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
78-80 °C/0.8 mmHg(lit.) expand Show data source
78-80°C/1mm expand Show data source
78-80°C/0.8mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
1.191 expand Show data source
1.191 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.571 expand Show data source
1.5710 expand Show data source
n20/D 1.57(lit.) expand Show data source
Hydrophobicity(logP)
0.24 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 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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
NH2C6H3(F)CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 541834 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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