4-Chlorobenzylamine hydrochloride

HCID 458443

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Basic information

CAS: 42365-43-5
Standard SMILES: Cl.NCc1ccc(Cl)cc1
InChIKey: KZNAUVKZACBZPF-UHFFFAOYSA-N
Molecular formula: C7H9Cl2N
Average molar mass: 178.06 g/mol
Monoisotopic mass: 177.01120465

Names & identifiers

Preferred name: 4-Chlorobenzylamine hydrochloride
IUPAC: (4-chlorophenyl)methanamine;hydrochloride
English name: 4-Chlorobenzylamine hydrochloride
Molecular weight: 0

Names & synonyms

4-CHLOROBENZYLAMINE HYDROCHLORIDE42365-43-5(4-chlorophenyl)methanamine hydrochloride(4-chlorophenyl)methanamine;hydrochloride1-(4-CHLOROPHENYL)METHANAMINE HYDROCHLORIDEp-Chlorobenzylamine, hydrochlorideSCHEMBL9274154-Chlorobenzylammonium chlorideDTXSID60332516KZNAUVKZACBZPF-UHF4-Chlorobenzylaminehydrochloride(4-Chlorophenyl)methanamine HCl

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4-Chlorobenzylamine hydrochloride salt

KZNAUVKZACBZPF-UHFFFAOYSA-NMFCD00672960AKOS023552987(4-chlorophenyl)methanaminehydrochlorideE84185F8521631-(4-Chlorophenyl)methanamine--hydrogen chloride (1/1)

Database identifiers

CAS: 42365-43-5
PubChem CID: 458443
DTXSID: DTXSID60332516
EC Number: 610-019-1

Properties

Computed structural properties

Topological polar surface area: 26 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 77

Physicochemical properties

Melting point: 259 °C · 259 °C
storage temp.: Store at room temperature, keep dry and cool
Appearance: White to off-white Solid
InChI: InChI=1S/C7H8ClN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
InChIKey: KZNAUVKZACBZPF-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(Cl)C=C1.Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501