3-Chlor-2-nitroanilin

3-Chloro-2-nitroaniline

HCID 101068CAS 59483-54-4

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Grundinformationen

Standard-SMILES: Nc1cccc(Cl)c1[N+](=O)[O-]
InChIKey: YADOEPHJIBKBCN-UHFFFAOYSA-N
Summenformel: C6H5ClN2O2
Durchschnittliche Molmasse: 172,57 g/mol
Monoisotopische Masse: 172,0039551

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-2-nitroaniline
IUPAC: 3-chloro-2-nitroaniline
Lokaler Name: 3-Chlor-2-nitroanilin
Englischer Name: 3-Chloro-2-nitroaniline
Summenformel: C6H5ClN2O2
Molmasse: 172.57

Namen und Synonyme

3-Chloro-2-nitroaniline59483-54-4EINECS 261-782-9DTXSID80208183RefChem:499815DTXCID00130674261-782-9MFCD013178033-chloro-2-nitro-aniline3-chloro-2-nitro-phenylamine3-chloro-2-nitrophenylaminesalzsaure Nitroanilin

Weitere Namen anzeigen

TIMTEC-BB SBB0086172-Nitro-3-chloroaniline3-Chloro-2-nitroaniline 98%2-Amino-6-chloronitrobenzene3-Chloro-2-nitroaniline, 95+%Benzenamine, 3-chloro-2-nitro-3-Chloro-2-nitroaniline, CAS 59483-54-43-Chloro-2-nitroaniline ISO 9001：2015 REACH

3-Chloro 2-nitroaniline3-Chloro-2-nitro anilineSCHEMBL203912SCHEMBL8002511SBB008617AKOS005259837AC-3731CS-W004730

Datenbank-Bezeichner

CAS: 59483-54-4
PubChem CID: 101068
DTXSID: DTXSID80208183
EC Number: 261-782-9
Nikkaji: J140.780E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 107 · 107-108°C
Siedepunkt: 327.1 · 327.1±22.0 °C(Predicted)
Dichte: 1.494 · 1.494±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -1.29 · -1.29±0.10(Predicted)
InChI: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
InChIKey: YADOEPHJIBKBCN-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(Cl)=C1[N+]([O-])=O
CAS Datenbank: 59483 · 59483-54-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.