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302-17-0 molecular structure
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4-fluorobenzene-1,2-diamine

ChemBase ID: 8771
Molecular Formular: C6H7FN2
Molecular Mass: 126.1315832
Monoisotopic Mass: 126.05932645
SMILES and InChIs

SMILES:
c1(F)cc(N)c(N)cc1
Canonical SMILES:
Fc1ccc(c(c1)N)N
InChI:
InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey:
KWEWNOOZQVJONF-UHFFFAOYSA-N

Cite this record

CBID:8771 http://www.chembase.cn/molecule-8771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluorobenzene-1,2-diamine
IUPAC Traditional name
4-fluorobenzene-1,2-diamine
Synonyms
1,2-Diamino-4-fluorobenzene
4-fluorobenzene-1,2-diamine
4-Fluorophenylene-1,2-diamine
3,4-Diaminofluorobenzene
4-Fluorobenzene-1,2-diamine 97%
1,2-Diamino-4-fluorobenzene
4-Fluoro-o-phenylenediamine
4-Fluoro-1,2-phenylenediamine
4-Fluoro-o-phenylenediamine
4-Fluorobenzene-1,2-diamine, tech
U - Chloral hydrate solution
4-FLUORO-o-PHENYLENEDIAMINE
3,4-二氨基氟苯
对氟邻苯二胺
4-氟-1,2-苯二胺
对氟邻苯二胺
水合氯醛 溶液
CAS Number
302-17-0
367-31-7
EC Number
206-691-7
MDL Number
MFCD00042228
Beilstein Number
2081075
PubChem SID
24883967
24870898
160972078
PubChem CID
164584

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4510446  LogD (pH = 7.4) 0.45800635 
Log P 0.45809585  Molar Refractivity 35.6752 cm3
Polarizability 12.292027 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)
Apperance
deep brown expand Show data source
Melting Point
86-88°C expand Show data source
91-95 °C expand Show data source
91-95°C expand Show data source
91-95°C expand Show data source
94-98 °C expand Show data source
Hydrophobicity(logP)
0.115 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold/Light Sensitive expand Show data source
IRRITANT expand Show data source
Light Sensitive expand Show data source
Toxic/Harmful/Irritant/Light Sensitive expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H311-H302-H332-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H7FN2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215264 external link
MP Biomedicals Rare Chemical collection
Apollo Scientific Ltd - PC2187 external link
Intermediate for the synthesis of poly(arylene ether phenylquinoxanlines): ACS Symp. Ser. 407, 212, 1999
Sigma Aldrich - 653586 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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