3-Methylbenzylamin

3-Methylbenzylamine

HCID 66015CAS 100-81-2

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Grundinformationen

Standard-SMILES: Cc1cccc(CN)c1
InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N
Summenformel: C8H11N
Durchschnittliche Molmasse: 121,18 g/mol
Monoisotopische Masse: 121,08914935

Namen und Bezeichner

Bevorzugter Name: 3-Methylbenzylamine
IUPAC: (3-methylphenyl)methanamine
Lokaler Name: 3-Methylbenzylamin
Englischer Name: 3-Methylbenzylamine
Summenformel: C8H11N
Molmasse: 121.18

Namen und Synonyme

3-Methylbenzylaminem-MethylbenzylamineBenzenemethanamine, 3-methyl-1-(3-methylphenyl)methanamineBenzylamine, m-methyl-EINECS 202-890-8DTXSID3059218RefChem:94839Benzenemethanamine, 3methylDTXCID4032459UN2735202-890-8

Weitere Namen anzeigen

3-Xylylamineα-Amino-m-xyleneRARECHEM AL BW 01643-Methyl-BenzylaminALPHA-AMINO-M-XYLENE(m-Tolylmethyl)amine

InChI=1/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1HRGXUCUWVGKLACF-UHFFFAOYSA-N100-81-2m-Tolylmethanamine(3-Methylphenyl)methanaminem-Xylylamine3-Methylbenzyl amine3-Methylbenzenemethanamine

Datenbank-Bezeichner

CAS: 100-81-2
PubChem CID: 66015
DTXSID: DTXSID3059218
ChEMBL: CHEMBL274573
UNII: JRQ2PCL7ZU
EC Number: 202-890-8
Nikkaji: J134.733K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 80,6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 19.71 °C · 19.71°C (estimate)
Siedepunkt: 202 · 202-205 °C(lit.)
Dichte: 0.966 g/mL · 0.966 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.536(lit.)
Flammpunkt: 177 °F · 177 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 9.13 · 9.13±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
BRN: 507474 · 507474
InChI: 1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N
SMILES: Cc1cccc(CN)c1
CAS Datenbank: 100 · 100-81-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzenemethanamine, 3-methyl-(100-81-2)
EPA chemische Informationen: 3 · Benzenemethanamine, 3-methyl- (100-81-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzylamine and alpha-Methylbenzylamine.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29214200
risk_code: 34
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45
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, 3-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-Methylbenzylamine ({(3-chlorophenyl)methanamine}) has been used as a templating agent in the synthesis of amine-templated materials containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-). It has also been used to study the chromatographic behavior of a series of substituted aniline and pyridine basic compounds on C18 bonded silica.