2-Amino-6-chlorbenzonitril

2-Amino-6-chlorobenzonitrile

HCID 81056CAS 6575-11-7

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Grundinformationen

Standard-SMILES: N#Cc1c(N)cccc1Cl
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
Summenformel: C7H5ClN2
Durchschnittliche Molmasse: 152,58 g/mol
Monoisotopische Masse: 152,0141259

Namen und Bezeichner

Bevorzugter Name: 2-Amino-6-chlorobenzonitrile
IUPAC: 2-amino-6-chlorobenzonitrile
Lokaler Name: 2-Amino-6-chlorbenzonitril
Englischer Name: 2-Amino-6-chlorobenzonitrile
Summenformel: C7H5ClN2
Molmasse: 152.58

Namen und Synonyme

2-Amino-6-chlorobenzonitrile6575-11-7NSC 129936DTXSID60215956EINECS 229-501-4RefChem:464745DTXCID90138447229-501-4Benzonitrile, 2-amino-6-chloro-Benzonitrile,2-amino-6-chloro-6-Chloroanthranilonitrile3-Chloro-2-cyanoaniline

Weitere Namen anzeigen

0/7/752-AMino-6-chlorobenzonitrile 96%6-Chloroanthranilonitrile, 3-Chloro-2-cyanoaniline

MFCD000155462-amino-6-chloro-benzonitrile6-Amino-2-chlorobenzonitrile2-amino-6-chloro benzonitrileNSC-129936AM808207SY011984EN300-24404

Datenbank-Bezeichner

CAS: 6575-11-7
PubChem CID: 81056
DTXSID: DTXSID60215956
UNII: YS5D5JX4JG
EC Number: 229-501-4
Nikkaji: J225.198A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 134 · 134-136 °C(lit.)
Siedepunkt: 327 · 327.0±27.0 °C(Predicted)
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
pka: 0.76 · 0.76±0.10(Predicted)
Farbe: Light Yellow to Yellow
BRN: 2717090 · 2717090
InChI: 1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
SMILES: Nc1cccc(Cl)c1C#N
CAS Datenbank: 6575 · 6575-11-7(CAS DataBase Reference)
NIST chemische Informationen: 6 · 6-Chloroanthranilonitrile(6575-11-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (12.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (85.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (12.8%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (12.8%)；Skin Sens. 1 (85.1%)；Eye Irrit. 2A (12.8%)；Acute Tox. 4 (10.6%)；STOT SE 3 (12.8%)