Grundinformationen
- Standard-SMILES
NCc1ccc(Cl)cc1- InChIKey
YMVFJGSXZNNUDW-UHFFFAOYSA-N- Summenformel
- C7H8ClN
- Durchschnittliche Molmasse
- 141,6 g/mol
- Monoisotopische Masse
- 141,03452694
Namen und Bezeichner
- Bevorzugter Name
- 4-Chlorobenzylamine
- IUPAC
- (4-chlorophenyl)methanamine
- Lokaler Name
- 4-Chlorbenzylamin
- Englischer Name
- 4-Chlorobenzylamine
- Summenformel
- C7H8ClN
- Molmasse
- 141.6
Namen und Synonyme
4-Chlorobenzylamine104-86-9(4-Chlorophenyl)methanaminep-ChlorobenzylamineBenzenemethanamine, 4-chloro-1-(4-chlorophenyl)methanamine4-Chloro-benzylamineMFCD00008121Benzylamine, p-chloro-4-chlorobenzenemethanamine(4-chlorophenyl)methylamine4-chlorobenzyl amine
Weitere Namen anzeigen
4-ChlorbenzylamineRARECHEM AL BW 0027TIMTEC-BB SBB004154Chlorobenzylamine,97%LABOTEST-BB LTBB0007014-ChlorobenzylaMine 98%
CHEMBL13218NSC-60119PARA-CHLOROBENZYLAMINE4chlorobenzylaminep-chlorobenzylarnineC2BNSC601194-chlorobenzylarnine
Datenbank-Bezeichner
- CAS
104-86-9- PubChem CID
- 66036
- DTXSID
DTXSID7059307- ChEMBL
CHEMBL13218- UNII
- V67JZR9DMP
- EC Number
- 203-245-3
- Nikkaji
- J5.181K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 77
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 277 · 277-278 °C(Solv: N,N-dimethylformamide (68-12-2))
- Siedepunkt
- 215 °C · 215 °C (lit.)
- Dichte
- 1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.558(lit.)
- Flammpunkt
- 195 °F · 195 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 8.85 · 8.85±0.10(Predicted)
- Farbe
- Clear slightly yellow
- Wasserlöslichkeit
- Not miscible in water.
- BRN
- 507949 · 507949
- InChI
- 1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
- InChIKey
- YMVFJGSXZNNUDW-UHFFFAOYSA-N
- SMILES
- NCc1ccc(Cl)cc1
- CAS Datenbank
- 104 · 104-86-9(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenemethanamine, 4-chloro-(104-86-9)
- EPA chemische Informationen
- 4 · Benzenemethanamine, 4-chloro- (104-86-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302+H312 (75.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationBenzenemethanamine, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzylamine.
Hazard Classes and CategoriesAcute Tox. 4 (86.8%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 9-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 29214990
- risk_code
- 36/37/38-34-52-21/22
- hazard_code
- Xi,C
- safety_code
- 26-36-45-36/37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenemethanamine, 4-chloro-: ACTIVE
Anwendungen
Verwenden4-Chlorobenzylamine is used as pharmaceutical intermediate.
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