Grundinformationen
- Standard-SMILES
CNCc1cccc(Cl)c1- InChIKey
ZPNLAQVYPIAHTO-UHFFFAOYSA-N- Summenformel
- C8H10ClN
- Durchschnittliche Molmasse
- 155,62 g/mol
- Monoisotopische Masse
- 155,050177
Namen und Bezeichner
- Bevorzugter Name
- Benzenemethanamine, 3-chloro-N-methyl-
- IUPAC
- 1-(3-chlorophenyl)-N-methylmethanamine
- Englischer Name
- 3-Chloro-N-methylbenzylamine
- Summenformel
- C8H10ClN
- Molmasse
- 155.62
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
39191-07-6- PubChem CID
- 122721
- DTXSID
DTXSID4068163- ChEMBL
CHEMBL1178161- UNII
- JE3Q5ZMA9Z
- EC Number
- 254-343-8
- Nikkaji
- J261.331J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 95
Physikochemische Eigenschaften
- Siedepunkt
- 97 °C/0.6 · 97 °C/0.6 mmHg (lit.)
- Dichte
- 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5395(lit.)
- Flammpunkt
- 115 °F · 115 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.34 · 9.34±0.10(Predicted)
- InChI
- 1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
- InChIKey
- ZPNLAQVYPIAHTO-UHFFFAOYSA-N
- SMILES
- CNCc1cccc(Cl)c1
- NIST chemische Informationen
- N-methyl-m-chlorobenzylamine(39191-07-6)
- EPA chemische Informationen
- 3 · Benzenemethanamine, 3-chloro-N-methyl- (39191-07-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29214990
- risk_code
- 10-22-38-41
- hazard_code
- Xn
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- Ⅲ
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Irrit. 2
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