1,2,3-Trichlor-5-nitrobenzol

1,2,3-TRICHLORO-5-NITROBENZENE · Anagrelide Impurity 11 · 3,4,5-Trichlornitrobenzol · 3,4,5-DICHLORONITROBENZENE · 3,4,5-TRICHLORONITROBENZENE · 1,2,3-TRICHLORO-5-NITROBENZNE · 5-NITRO-1,2,3-TRICHLOROBENZENE · 3,4,5-trichloro-1-nitrobenzene

https://huagongshe.com/de/chemical/88365

Molekülstruktur von 1,2,3-Trichlor-5-nitrobenzol

Identifikatoren & physikalische Daten

CAS No.	20098-48-0
Summenformel	C6H2Cl3NO2
Durchschnittliche Molmasse	226,4 g/mol
Monoisotopische Masse	224,91511134 g/mol
SMILES	O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1
InChIKey	HHLCSFGOTLUREE-UHFFFAOYSA-N
PubChem CID	88365
ChEMBL	CHEMBL1443813
EC No.	243-511-6
DTXSID	DTXSID5026205
Lokaler Name	1,2,3-Trichlor-5-nitrobenzol

Chemische & physikalische Eigenschaften

XLogP	3,9
Polarare Oberfläche (TPSA)	45,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	172
SpringerMaterials Properties	Crystal structure
Dichte	1.807 (NTP, 1992) - Denser than waterwill sink1.8070
Löslichkeit	less than 1 mg/mL at 59 °F (NTP, 1992)Chloroform (Slightly), Methanol (Slightly)<0.1 g/100 mL at 15 ºC
Schmelzpunkt	162.5 °F (NTP, 1992)68-71 °C (lit.)
Physical Description	3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)
Siedepunkt	288°C (rough estimate)
Brechungsindex	1.6300 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	Solid
Farbe	Pale Orange
BRN	2505480
InChI	InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey	HHLCSFGOTLUREE-UHFFFAOYSA-N
SMILES	C1(Cl)=CC([N+]([O-])=O)=CC(Cl)=C1Cl
CAS Datenbank	20098-48-0(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1,2,3-trichloro-5-nitro-(20098-48-0)
EPA chemische Informationen	Benzene, 1,2,3-trichloro-5-nitro- (20098-48-0)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 44.6% (37 of 83) of reports.WarningH302 (54.2%): Harmful if swallowed [Warning Acute toxicity, oral]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 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DOT-Kennzeichnung	Poison
Brandgefahren	Flash point data for this compound are not availablehowever, it is probably combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: Exposure to this type of compound may cause eye and skin irritation. Absorption into the body leads to formation of methemoglobin which in sufficient concentration causes cyanosis.
Reaktive Gruppe	Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile	This type of compound is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (54.2%)
Brandbekämpfung	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne Brand	SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.