alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol

HCID 19349

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Basic information

CAS: 3567-82-6
Standard SMILES: NCC(O)c1ccc(Cl)c(Cl)c1
InChIKey: KAFHLYIMFOUYGL-UHFFFAOYSA-N
Molecular formula: C8H9Cl2NO
Average molar mass: 206.07 g/mol
Monoisotopic mass: 205.0061193

Names & identifiers

Preferred name: alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol
IUPAC: 2-amino-1-(3,4-dichlorophenyl)ethanol
English name: alpha-(aminomethyl)-3,4-dichlorobenzyl alcohol
Molecular formula: C8H9Cl2NO
Molecular weight: 206.06916

Names & synonyms

3567-82-63,4-DichlorophenylethanolamineRefChem:555291alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol222-659-5alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol2-amino-1-(3,4-dichlorophenyl)ethan-1-ol2-amino-1-(3,4-dichloro-phenyl)-ethanolCHEMBL224526(S)-2-Amino-1-(3,4-dichloro-phenyl)-ethanolMFCD111682172-Amino-1-(3,4-dichlorophenyl)ethanol HCl

Show more names

α-(aminomethyl)-3,4-dichlorobenzyl alcoholα-(Aminomethyl)-3,4-dichlorobenzenemethanolBenzenemethanol, α-(aminomethyl)-3,4-dichloro-Benzenemethanol, a-(aminomethyl)-3,4-dichloro-

EINECS 222-659-5MFCD11042306(S)-2-amino-1-(3,4-dichlorophenyl)ethanolBenzenemethanol, a-(aminomethyl)-3,4-dichloro-, (aS)-SCHEMBL296410SCHEMBL25831761DTXSID90957054KAFHLYIMFOUYGL-UHFFFAOYSA-N

Database identifiers

CAS: 3567-82-6
PubChem CID: 19349
DTXSID: DTXSID90957054
EC Number: 222-659-5
Nikkaji: J216.206G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 354.1 · 354.1±37.0 °C(Predicted)
Density: 1.391 · 1.391±0.06 g/cm3(Predicted)
pka: 11.38 · 11.38±0.35(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P