2-Chlorbenzylamin
2-Chlorobenzylamine
Grundinformationen
- CAS
89-97-4- Standard-SMILES
NCc1ccccc1Cl- InChIKey
KDDNKZCVYQDGKE-UHFFFAOYSA-N- Summenformel
- C7H8ClN
- Durchschnittliche Molmasse
- 141,6 g/mol
- Monoisotopische Masse
- 141,034527
Überblick
2-chlorobenzylamine appears as a colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
Namen und Bezeichner
- Bevorzugter Name
- 2-Chlorobenzylamine
- IUPAC
- (2-chlorophenyl)methanamine
- Lokaler Name
- 2-Chlorbenzylamin
- Englischer Name
- 2-Chlorobenzylamine
- Summenformel
- C7H8ClN
- Molmasse
- 141.6
Namen und Synonyme
2-Chlorobenzylamineo-ChlorobenzylamineBenzenemethanamine, 2-chloro-Benzylamine, o-chloro-2-Chlorobenzenemethanamine(2-chlorophenyl)methylamineUNII-L790J4Y7A3L790J4Y7A3EINECS 201-955-8NSC 60118NSC-60118DTXSID3059002
Weitere Namen anzeigen
(2-Chlorophenyl)methanamineOCAMNCAM21MGC51008HGNC:7657JACS-89-97-4O-benzylaMineChlorobenzylaMineAKOS BBS-00003608
EC 201-955-8TICLOPIDINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)TICLOPIDINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]RefChem:86460Benzylamine, o-chloro-(8CI)DTXCID6048672201-955-8KDDNKZCVYQDGKE-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
89-97-4- PubChem CID
- 66648
- DTXSID
DTXSID3059002- ChEMBL
CHEMBL12712- UNII
- L790J4Y7A3
- EC Number
- 201-955-8
- Nikkaji
- J9D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 85
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
Physical Description
2-chlorobenzylamine appears as a colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
Physikochemische Eigenschaften
- Schmelzpunkt
- 227 · 227-228 °C(Solv: N,N-dimethylformamide (68-12-2))
- Siedepunkt
- 215 °C · 215 °C(lit.)
- Dichte
- 1.173 g/mL · 1.173 g/mL at 25 °C(lit.)
- Dampfdruck
- 10.292 Pa · 10.292Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.562(lit.)
- Flammpunkt
- 195 °F · 195 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 8.52 · 8.52±0.10(Predicted)
- Aggregatzustand
- Liquid
- Wichte
- 1.173 · 1.173 (20/4℃)
- Farbe
- Clear yellow
- BRN
- 907186 · 907186
- InChI
- 1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
- InChIKey
- KDDNKZCVYQDGKE-UHFFFAOYSA-N
- SMILES
- NCc1ccccc1Cl
- LogP
- 1.6 · 1.6
- CAS Datenbank
- 89 · 89-97-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenemethanamine, 2-chloro-(89-97-4)
- EPA chemische Informationen
- 2 · 2-Chlorobenzylamine (89-97-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (41.2%): Harmful if swallowed [Warning Acute toxicity, oral]
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 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: 2-chlorobenzylamine (EC: 201-955-8)
2-Chlorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
2-CHLOROBENZYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsSomewhat soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (41.2%)
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Sicherheitsdaten
- F
- 9-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214980
- risk_code
- 36/37/38-34-37
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenemethanamine, 2-chloro-: ACTIVE
Anwendungen
Verwenden2-Chlorobenzylamine is a chlorinated derivative of benzylamine. 2-Chlorobenzylamine showed plasmin inhibitory activity as well as inhibition of bovine thrombin activity.
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