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3-Methylbenzylamine

Dangerous Goods

CAS number：100-81-2    molecular formula：C8H11N

overview
Specs
numbering system
physicochemical properties
Safety information
Production methods and uses
Related
MSDS
related products

overview

compound introduction

3-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.

Specs

Chinese alias-
English alias-
CAS number100-81-2molecular formulaC8H11N
molecular weight121.18 g/molExact mass≥90%
PSA26.000 Ųlogp1.300

numbering system

CAS100-81-2
UNIIJRQ2PCL7ZU
WikidataQ27467960
ChEMBL IDCHEMBL274573
PubChem CID66015
Nikkaji NumberJ134.733K
DSSTox Substance IDDTXSID3059218
European Community (EC) Number202-890-8
PubChem Reference Collection SID500738257

physicochemical properties

XLogP31.3
Complexity80.6
Exact Mass121.089149355
Formal Charge0
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Heavy Atom Count9
Molecular Weight121.18
Monoisotopic Mass121.089149355
Isotope Atom Count0
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Rotatable Bond Count1
Dissociation Constantsiupacpka
Hydrogen Bond Donor Count1
Covalently-Bonded Unit Count1
Hydrogen Bond Acceptor Count1
Topological Polar Surface Area26 Ų
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Atom Stereocenter Count0
Undefined Bond Stereocenter Count0

Safety information

Adverse Effects：
Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Hazards Summary：
Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzylamine and alpha-Methylbenzylamine.
Hazard Classes and Categories：
Skin Corr. 1B (100%)

Production methods and uses

No production method and use information yet

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upstream information

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downstream information

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MSDS

Found 1 shareMSDS
100-81-2 | 3-Methylbenzylamine.pdf