4-Fluoro-2-nitrotoluene

HCID 67965CAS 446-10-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(F)cc1[N+](=O)[O-]
InChIKey
SKWTUNAAJNDEIK-UHFFFAOYSA-N
Molecular formula
C7H6FNO2
Average molar mass
155.13 g/mol
Monoisotopic mass
155.0382566

Names & identifiers

Preferred name
4-Fluoro-2-nitrotoluene
IUPAC
4-fluoro-1-methyl-2-nitrobenzene
English name
4-Fluoro-2-nitrotoluene
Molecular formula
C7H6FNO2
Molecular weight
155.13

Names & synonyms

4-Fluoro-2-nitrotoluene446-10-64-Fluoro-1-methyl-2-nitrobenzeneEINECS 207-161-8SKWTUNAAJNDEIK-UHFFFAOYSA-DTXSID80196233NSC 60725RefChem:523134DTXCID90118724207-161-8InChI=1/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H32-nitro-4-fluorotoluene
Show more names
Fluoronitrotoluene4Afatinib Impurity 972-nitro-4-fluorotoluol2-Nitri-4-fluorotoluene4-fluoro-2-nitrobenzene4-Fluoro-2-nitrotoluene98%
Benzene, 4-fluoro-1-methyl-2-nitro-MFCD00007200Toluene, 4-fluoro-2-nitro-4-fluoro-1-methyl-2-nitro-benzeneNSC-607254-fluoro-2-nitro tolueneNSC607254-fluoronitrotoluene

Database identifiers

CAS
446-10-6
PubChem CID
67965
DTXSID
DTXSID80196233
UNII
VC9M78LMH5
EC Number
207-161-8
Nikkaji
J149.802I

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
27 °C · 27 °C(lit.)
Boiling point
138 · 138-139 °C83 mm Hg(lit.)
Density
1.26 · 1.26
refractive index
20 · n20/D 1.522(lit.)
Flash point
210 °F · 210 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (98%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (95.9%)；Eye Irrit. 2 (95.9%)；Acute Tox. 4 (14.3%)；STOT SE 3 (93.9%)

Safety data

wgk
2
ridadr
UN2811
hs_code
29049090
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS06

Chemistry & industry

Applications

Uses4-Fluoro-2-nitrotoluene is a colorless to light yellow liquid and is a class of chemical intermediates with a wide range of uses.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

57 records
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Linked notes

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