2-Amino-4'-chlorobiphenyl

HCID 262261

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Grundinformationen

CAS: 1204-44-0
Standard-SMILES: Nc1ccccc1-c1ccc(Cl)cc1
InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
Summenformel: C12H10ClN
Durchschnittliche Molmasse: 203,67 g/mol
Monoisotopische Masse: 203,050177

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4'-chlorobiphenyl
IUPAC: 2-(4-chlorophenyl)aniline
Englischer Name: 4'-Chloro-biphenyl-2-ylamine
Summenformel: C12H10ClN
Molmasse: 203.67

Namen und Synonyme

2-amino-4'-chlorobiphenylRefChem:463963601-706-71204-44-04'-Chloro-[1,1'-biphenyl]-2-amine4'-Chloro-biphenyl-2-ylamine2-(4-chlorophenyl)aniline4'-chlorobiphenyl-2-ylamineMFCD034246594'-chloro[1,1'-biphenyl]-2-amine4'-chlorobiphenyl-2-amineNSC95712

Weitere Namen anzeigen

AKOS BAR-0110Boscalid Impurity 1Boscalid Intermediate4 Chlorobiphenyl Amine4-chloro-2-aminobiphenyl4'-chloro-2-aminebiphenyl4'-chloro-biphenyl-2ylamie

MLS002695317NSC-95712SMR001561223SY1070384'-Chloro-2-biphenylamine4'-Chloro-Biphenyl-2-yl Amine4'-Chloro-[1,1'-biphenyl]-2-amine; 4'-Chloro-2-biphenylamine; 2-Amino-4'-chlorobiphenyl; 4'-Chloro-1,1'-biphenyl-2-amine; NSC 957124'-Chloro-bip

Datenbank-Bezeichner

CAS: 1204-44-0
PubChem CID: 262261
DTXSID: DTXSID40923380
ChEMBL: CHEMBL1868314
EC Number: 601-706-7
Nikkaji: J1.270.739H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 45 to · 45.0 to 49.0 °C
Siedepunkt: 334.6 · 334.6±17.0 °C(Predicted)
Dichte: 1.205 · 1.205±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.26 · 3.26±0.10(Predicted)
Farbe: Off-White to Pale Beige
InChI: InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2
InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Cl)C=C2)=CC=CC=C1N
CAS Datenbank: 1204 · 1204-44-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2921490090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4''-Chlorobiphenyl-2-ylamine is used as a reagent in the synthesis of Boscalid (B675850); a fungicide belonging to the class of carboxamides. Boscalid acts by inhibiting spore germination and germ tube elongation, and is also effective on all other stages of fungal development. Boscalid is used in the agriculture to protect crops from gray mold, powdery mildew, and other fungus.