4-Fluor-2-nitrotoluol

4-FLUORO-1-METHYL-2-NITROBENZENE · Fluoronitrotoluene4 · Afatinib Impurity 97 · 2-nitro-4-fluorotoluol · 2-Nitri-4-fluorotoluene · 4-FLUORO-2-NITROTOLUENE · 2-NITRO-4-FLUOROTOLUENE · 4-fluoro-2-nitrobenzene

https://huagongshe.com/de/chemical/67965

Molekülstruktur von 4-Fluor-2-nitrotoluol

Identifikatoren & physikalische Daten

CAS No.	446-10-6
Summenformel	C7H6FNO2
Durchschnittliche Molmasse	155,13 g/mol
Monoisotopische Masse	155,0382566 g/mol
SMILES	Cc1ccc(F)cc1[N+](=O)[O-]
InChIKey	SKWTUNAAJNDEIK-UHFFFAOYSA-N
PubChem CID	67965
EC No.	207-161-8
DTXSID	DTXSID80196233
Lokaler Name	4-Fluor-2-nitrotoluol

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	45,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	157
Schmelzpunkt	27 °C(lit.)
Siedepunkt	138-139 °C83 mm Hg(lit.)
Dichte	1.26
Brechungsindex	n20/D 1.522(lit.)
Flammpunkt	210 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	Liquid
Wichte	1.260
Farbe	Clear yellow to amber
BRN	1946051
InChI	InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey	SKWTUNAAJNDEIK-UHFFFAOYSA-N
SMILES	C1(C)=CC=C(F)C=C1[N+]([O-])=O
CAS Datenbank	446-10-6(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 4-fluoro-1-methyl-2-nitro-(446-10-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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 exposureRespiratory 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 Classes and Categories	Acute Tox. 4 (98%)Acute Tox. 4 (14.3%)Skin Irrit. 2 (95.9%)Eye Irrit. 2 (95.9%)STOT SE 3 (93.9%)
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN2811
Zollcode	29049090
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn,Xi,T
hazard_note	Irritant
Sicherheitshinweise (S)	26-45-37-28A
Gefahrenklasse	6.1
Verpackungsgruppe	III