2-[(2-Chlorobenzyl)thio]ethanamine
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Basic information
- CAS
42416-23-9- Standard SMILES
NCCSCc1ccccc1Cl- InChIKey
CEOBXCFVZOZDFM-UHFFFAOYSA-N- Molecular formula
- C9H12ClNS
- Average molar mass
- 201.72 g/mol
- Monoisotopic mass
- 201.0378983
Names & identifiers
- Preferred name
- 2-[(2-Chlorobenzyl)thio]ethanamine
- IUPAC
- 2-[(2-chlorophenyl)methylsulfanyl]ethanamine
- English name
- 2-[(2-CHLOROBENZYL)THIO]ETHYLAMINE
- Molecular formula
- C9H12ClNS
- Molecular weight
- 201.72
Names & synonyms
42416-23-92-[(2-Chlorobenzyl)thio]ethanamine2-[(2-Chlorobenzyl)thio]ethylamine2-[(2-chlorophenyl)methylsulfanyl]ethanamineNSC357552-((2-chlorobenzyl)thio)ethanamine{2-[(2-chlorobenzyl)thio]ethyl}amine2-[(2-chlorobenzyl)sulfanyl]ethanamine2-{[(2-chlorophenyl)methyl]sulfanyl}ethan-1-amineNSC-357552-((2-Chlorobenzyl)thio)ethan-1-amine[2-[(2-CHLOROBENZYL)THIO]ETHYL]AMINE
Show more names
2-[(2-Chlorobenzyl)sulphanyl]ethylamine2-[(2-chlorophenyl)methylthio]ethanamineEthanamine, 2-[[(2-chlorophenyl)methyl]thio]-
NCIStruc1_000458NCIStruc2_000539CHEMBL1376952SCHEMBL10952426DTXSID90284115ALBB-027070NCI35755CCG-37926
Database identifiers
- CAS
42416-23-9- PubChem CID
- 234909
- DTXSID
DTXSID90284115- ChEMBL
CHEMBL1376952- EC Number
- 806-086-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 160 °C · 160 °C
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.10(Predicted)
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 42416 · 42416-23-9
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2930909899
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- hazard_class
- 8
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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