6-Chlor-m-toluidin

2-Chloro-5-methylaniline

HCID 66770CAS 95-81-8

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Grundinformationen

Standard-SMILES: Cc1ccc(Cl)c(N)c1
InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
Summenformel: C7H8ClN
Durchschnittliche Molmasse: 141,6 g/mol
Monoisotopische Masse: 141,03452694

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-methylaniline
IUPAC: 2-chloro-5-methylaniline
Lokaler Name: 6-Chlor-m-toluidin
Englischer Name: 2-Chloro-5-methylaniline
Summenformel: C7H8ClN
Molmasse: 141.6

Namen und Synonyme

2-Chloro-5-methylaniline95-81-86-Chloro-m-toluidineBenzenamine, 2-chloro-5-methyl-CCRIS 288833NGJ21B5BEINECS 202-454-7UNII-33NGJ21B5BDTXSID0074554RefChem:86303DTXCID7048956202-454-7

Weitere Namen anzeigen

2-Thiophenol2-Chloro-5-methylani2-Chloro-5-methylaniline >2-Chloro-5-methylaniline 99+%2-CHLORO-5-METHYLANILINE 99%2-chloro-5-methyl-Benzenamine2-Chloro-5-Methylaniline, 97+%

HPSCXFOQUFPEPE-UHFFFAOYSA-NInChI=1/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3-AMINO-4-CHLOROTOLUENEMFCD000076742-chloro-5-methylbenzenamine2-chloro-5-methylphenylamine2-chloro-5-methyl aniline2-chloro-5-methyl-aniline

Datenbank-Bezeichner

CAS: 95-81-8
PubChem CID: 66770
DTXSID: DTXSID0074554
UNII: 33NGJ21B5B
EC Number: 202-454-7
Nikkaji: J153.388F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Physikochemische Eigenschaften

Schmelzpunkt: 31 · 31-33°C
Siedepunkt: 228 · 228-230°C
Dichte: 1.1359 · 1.1359 (rough estimate)
Brechungsindex: 1.5748 · 1.5748 (estimate)
Flammpunkt: 228 · 228-230°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: powder to lump
pka: 2.78 · 2.78±0.10(Predicted)
Farbe: White to Almost white
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
SMILES: Cc1ccc(Cl)c(N)c1
CAS Datenbank: 95 · 95-81-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Chloro-5-methylaniline(95-81-8)
EPA chemische Informationen: 2 · Benzenamine, 2-chloro-5-methyl- (95-81-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN2239
hs_code: 29214300
risk_code: 20/21/22-36/37/38-36/37-28-26
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-28-45-36/38-33-20/21/22
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-5-methylaniline is used in the synthesis and preparation of acylthiourea derivative for potential used of anti-viral agents against vaccinia and La Crosse viruses.