2-(4-Chloro-benzylamino)-ethanol

HCID 424452

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Basic information

CAS: 40172-04-1
Standard SMILES: OCCNCc1ccc(Cl)cc1
InChIKey: IEQFRJNTIYEFTM-UHFFFAOYSA-N
Molecular formula: C9H12ClNO
Average molar mass: 185.65 g/mol

Names & identifiers

Preferred name: 2-(4-Chloro-benzylamino)-ethanol
IUPAC: 2-[(4-chlorophenyl)methylamino]ethanol
English name: 2-(4-Chloro-benzylamino)-ethanol
Molecular formula: C9H12ClNO
Molecular weight: 185.65

Names & synonyms

40172-04-12-(4-Chloro-benzylamino)-ethanol2-((4-chlorobenzyl)amino)ethanol2-[(4-chlorophenyl)methylamino]ethanol2-[(4-chlorobenzyl)amino]ethanolMFCD004613882-{[(4-chlorophenyl)methyl]amino}ethan-1-ol2-([(4-chlorophenyl)methyl]amino)ethan-1-ol2-(4-chlorobenzylamino)ethanolSCHEMBL22630252-(4-chlorobenzylamino)-ethanolIEQFRJNTIYEFTM-UHFFFAOYSA-N

Show more names

2-((4-chlorobenzyl)amino)ethan-1-ol2-[[(4-Chlorophenyl)methyl]amino]ethanolEthanol, 2-[[(4-chlorophenyl)methyl]amino]-

QBA17204STL308514AKOS002617319SB84618DA-06134CS-0237001EU-0017578N-(4-chlorobenzyl)-N-(2-hydroxyethyl)amine

Database identifiers

CAS: 40172-04-1
PubChem CID: 424452
EC Number: 675-362-1

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 113

Physicochemical properties

Boiling point: 106 · 106-108 °C(Press: 0.12 Torr)
Density: 1.181 g/cm3 · 1.1810 g/cm3(Temp: 25 °C)
storage temp.: Store at Room Tem.
pka: 14.74 · 14.74±0.10(Predicted)
Appearance: off-white solid
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H314-H411
Precautionary statements: 501 · P501-P273-P270-P264-P280-P391-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
Hazard statements: H302-H314-H411
Precautionary statements: P501-P273-P270-P264-P280-P391-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405