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2,6-Dichloranilin

2,6-Dichloroaniline

HCID 11846
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Grundinformationen

CAS
608-31-1
Standard-SMILES
Nc1c(Cl)cccc1Cl
InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N
Summenformel
C6H5Cl2N
Durchschnittliche Molmasse
162,01 g/mol
Monoisotopische Masse
160,9799046

Überblick

2,6-dichloroaniline is a dichloroaniline.

Namen und Bezeichner

Bevorzugter Name
2,6-Dichloroaniline
IUPAC
2,6-dichloroaniline
Lokaler Name
2,6-Dichloranilin
Englischer Name
2,6-Dichloroaniline
Summenformel
C6H5Cl2N
Molmasse
162.02

Namen und Synonyme

2,6-DICHLOROANILINEBenzenamine, 2,6-dichloro-2,6-dichlorobenzenamine2,6-dichlorophenylamine2,6-DichloranilinANILINE, 2,6-DICHLORO-KG3RW7NW6MDICHLOROANILINE, 2,6-DTXSID5044449CHEBI:46630CLONIDINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)CLONIDINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Weitere Namen anzeigen
2,6-DCA2,6-dichloroAURORA KA-6872.6-Dichloroan6-Dichloroaniline2,6 DICHLORANILINE2,6-ChloroAniline.
RefChem:83179DTXCID3024449210-160-5InChI=1/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HJDMFXJULNGEPOI-UHFFFAOYSA-N608-31-1Clonidine EP Impurity CMFCD00007675

Datenbank-Bezeichner

CAS
608-31-1
PubChem CID
11846
DTXSID
DTXSID5044449
ChEMBL
CHEMBL28368
ChEBI
CHEBI:46630
UNII
KG3RW7NW6M
EC Number
210-160-5
Nikkaji
J134.696B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
9
Formalladung
0
Komplexität
87,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.71
SolubilitySolubility in water: poor
Flash Point>112 °C
Boiling Pointat 0.7kPa: 97 °C
Melting Point39 °C
Vapor DensityRelative vapor density (air = 1): 5.6
Physical DescriptionCOLOURLESS CRYSTALS.

Physikochemische Eigenschaften

Schmelzpunkt
36 · 36-38 °C (lit.)
Siedepunkt
228 °C · 228 °C
Dichte
1 · 1,275 g/cm3

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301+H311+H331 (73.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzenamine, 2,6-dichloro-

Benzenamine, 2,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-dichloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 2,6-dichloroaniline (EC: 210-160-5)

2,6-Dichloroaniline: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Dichloroanilines: Human health tier II assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC ClassificationSymbol: T, N; R: 23/24/25-33-50/53; S: (1/2)-28-36/37-45-60-61; Note: C
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzenamine, 2,6-dichloro-: ACTIVE

Anwendungen

Verwenden2,6-Dichloroaniline is used in the pharmaceutical industry for the synthesis of antibacterial agents of lomefloxacin, Lee uric acid and clonidine.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2,6-Dichlorbenzoesure4-AminobenzoesureKohlenstoffdioxidSulfanilamidChloroschwefelsureFluoroboric acidCyclohexanonBenzylbenzoatAcetamide, N-acetyl-N-(2,4,6-trichlorophenyl)-Benzenesulfonyl chloride, 4-amino-3,5-dichloro-Methyl 4-amino-3,5-dichlorobenzoate3,5-Dichlorsulfanilamid2,6-Dichlorbenzamid

Zugehörige Reaktionen

170
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Reaktionsgleichung von HRID 27197
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Reaktionsgleichung von HRID 34251
HRID 34251als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 59309
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Reaktionsgleichung von HRID 66153
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Dampfdruck
0.5 hPa · <0.5 hPa ( 20 °C)
Brechungsindex
1.6 · 1.6000 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
1.6 g/l · 1.6g/l
pka
0.71 · 0.71±0.10(Predicted)
Aggregatzustand
Crystalline Solid
Farbe
White to brown
Geruch (Odor)
Aromatic odor
Wasserlöslichkeit
1.6 g/L · 1.6 g/L (20 ºC)
BRN
775084 · 775084
InChI
1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N
SMILES
Nc1c(Cl)cccc1Cl
CAS Datenbank
608 · 608-31-1(CAS DataBase Reference)
NIST chemische Informationen
2 · Benzenamine, 2,6-dichloro-(608-31-1)
EPA chemische Informationen
2 · 2,6-Dichloroaniline (608-31-1)
Chemical DangersDecomposes on burning. This produces toxic fumes of nitrogen oxides and hydrogen chloride (see ICSC 0163).
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (98.2%)

Acute toxicity - category 3

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4 Einträge

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageSeparated from strong oxidants and food and feedstuffs. Provision to contain effluent from fire extinguishing.
Spillage Disposal · 1 Eintrag

Personal protection: chemical protection suit including self-contained breathing apparatus. Remove all ignition sources. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles or face shield.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work. Wash hands before eating.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the blood. This may result in the formation of methaemoglobin.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 Einträge

Blue lips, fingernails and skin. Dizziness. Headache. Nausea. Shortness of breath. Confusion. Convulsions. Unconsciousness.

MAY BE ABSORBED! Further see Inhalation.

Redness. Pain.

Abdominal pain. Further see Inhalation.

ICSC Environmental DataThe substance is toxic to aquatic organisms.

Sicherheitsdaten

F
8
wgk
3
tsca
TSCA listed
ridadr
UN 3442 6.1/PG 2
hs_code
29214210
RTECS-Nr.
CX9862655
risk_code
23/24/25-33-50/53
hazard_code
T,N,Xi
hazard_note
Irritant
safety_code
28-36/37-45-60-61-28A
hazard_class
6.1
packing_group
II
Speicherklasse
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Aquatic Chronic 1Skin Sens. 1STOT RE 2
Selbstentzündungstemperatur
>600°C
4-Amino-3,5-dichlorbenzoesure
4-Brom-2,6-dichloranilin
2,4,6-Trichloranilin

Nachgelagerte Produkte

2,6-DichlorbenzonitrilN-(2,6-Dichlorophenyl)acetamidineClonidin1,2,3-Trifluor-4-nitrobenzol3-[[4-[(2,6-Dichlor-4-nitrophenyl)azo]phenyl]ethylamino]propiononitril3,5-Dichloranilin1-(4-Amino-3,5-dichlorphenyl)ethan-1-on