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443-82-3 molecular structure
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1-fluoro-2,3-dimethylbenzene

ChemBase ID: 8845
Molecular Formular: C8H9F
Molecular Mass: 124.1554632
Monoisotopic Mass: 124.06882851
SMILES and InChIs

SMILES:
c1cc(c(c(c1)C)C)F
Canonical SMILES:
Cc1c(C)cccc1F
InChI:
InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey:
AWLDSXJCQWTJPC-UHFFFAOYSA-N

Cite this record

CBID:8845 http://www.chembase.cn/molecule-8845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-2,3-dimethylbenzene
IUPAC Traditional name
1-fluoro-2,3-dimethylbenzene
Synonyms
3-Fluoro-o-xylene
3-Fluoro-1,2-dimethylbenzene
2,3-Dimethylfluorobenzene
3-Fluoro-o-xylene
2,3-Dimethylfluorobenzene 99%
3-Fluoro-o-xylene
3-Fluoro-1,2-dimethylbenzene
1-Fluoro-2,3-dimethylbenzene
3-氟-邻二甲苯
3-氟邻二甲苯
3-氟-1,2-二甲苯
CAS Number
443-82-3
EC Number
207-140-3
MDL Number
MFCD00000323
Beilstein Number
2040955
PubChem SID
160972152
24853103
PubChem CID
96489

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1427906  LogD (pH = 7.4) 3.1427906 
Log P 3.1427906  Molar Refractivity 36.3568 cm3
Polarizability 13.505887 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
147-148°C expand Show data source
148-152 °C(lit.) expand Show data source
148-152°C expand Show data source
Flash Point
36 °C expand Show data source
36°C expand Show data source
36°C(96°F) expand Show data source
96.8 °F expand Show data source
Density
0.99 expand Show data source
0.99 g/mL at 25 °C(lit.) expand Show data source
0.992 expand Show data source
Refractive Index
1.486 expand Show data source
1.4860 expand Show data source
n20/D 1.486(lit.) expand Show data source
Storage Warning
FLAMMABLE expand Show data source
Flammable expand Show data source
RTECS
ZE4560000 expand Show data source
UN Number
1993 expand Show data source
UN1993 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
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
Safety Statements
16 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
GHS Precautionary statements
P261 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Linear Formula
(CH3)2C6H3F expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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