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352-70-5 molecular structure
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1-fluoro-3-methylbenzene

ChemBase ID: 8895
Molecular Formular: C7H7F
Molecular Mass: 110.1288832
Monoisotopic Mass: 110.05317844
SMILES and InChIs

SMILES:
c1cc(cc(c1)C)F
Canonical SMILES:
Cc1cccc(c1)F
InChI:
InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey:
BTQZKHUEUDPRST-UHFFFAOYSA-N

Cite this record

CBID:8895 http://www.chembase.cn/molecule-8895.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-3-methylbenzene
IUPAC Traditional name
M-fluorotoluene
Synonyms
3-Fluorotoluene
m-FLUOROTOLUENE
3-Fluorotoluene
1-Fluoro-3-methylbenzene
1-Fluoro-3-methylbenzene
3-Fluorotoluene 99%
3-氟甲苯
CAS Number
352-70-5
EC Number
206-524-8
MDL Number
MFCD00000339
Beilstein Number
1903631
Merck Index
144180
PubChem SID
160972202
24849978
PubChem CID
9606

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6293693  LogD (pH = 7.4) 2.6293693 
Log P 2.6293693  Molar Refractivity 31.3156 cm3
Polarizability 11.741005 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)
Melting Point
-87 °C(lit.) expand Show data source
-87°C expand Show data source
-87°C expand Show data source
Boiling Point
114-116°C expand Show data source
114-116°C expand Show data source
115 °C(lit.) expand Show data source
115°C expand Show data source
Flash Point
48.2 °F expand Show data source
9 °C expand Show data source
9°C expand Show data source
9°C(48°F) expand Show data source
Density
0.991 expand Show data source
0.991 g/mL at 25 °C(lit.) expand Show data source
0.993 expand Show data source
Refractive Index
1.469 expand Show data source
1.4690 expand Show data source
n20/D 1.469(lit.) expand Show data source
Storage Warning
Highly Flammable/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
RTECS
XT2578000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2388 expand Show data source
UN2388 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-36/37/38 expand Show data source
11-37 expand Show data source
Safety Statements
16-23 expand Show data source
16-26-36 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
H225-H335 expand Show data source
GHS Precautionary statements
P210-P261 expand Show data source
P210-P261-P305 + P351 + P338 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 2388 3/PG 2 expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3C6H4F expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05222352 external link
MP Biomedicals Rare Chemical collection
Apollo Scientific Ltd - PC4320 external link
Intermediate for the production of Ciprofloxacin.
Sigma Aldrich - 162329 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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