1-(2-Chlorophenyl)ethanamine
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Basic information
- CAS
39959-67-6- Standard SMILES
CC(N)c1ccccc1Cl- InChIKey
RJPLGQTZHLRZGX-UHFFFAOYSA-N- Molecular formula
- C8H10ClN
- Average molar mass
- 155.62 g/mol
- Monoisotopic mass
- 155.050177
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)ethanamine
- IUPAC
- 1-(2-chlorophenyl)ethanamine
- English name
- 1-(2-chlorophenyl)ethanamine
- Molecular formula
- C8H10ClN
- Molecular weight
- 155.62
Names & synonyms
1-(2-chlorophenyl)ethanamineDTXSID00305986RefChem:421910DTXCID20257115815-181-939959-67-61-(2-chlorophenyl)ethylamine1-(2-chlorophenyl)ethan-1-amineMFCD05215230Benzenemethanamine, 2-chloro-alpha-methyl-, (alphaS)-1-(2-chlorophenyl)ethaneamineNSC173076
Show more names
IVK/00491831-o-Chlorophenethylamine2-Chloro-α-MethylbenzylaMine1-orthochlorobenzenethylamineBenzenemethanamine, 2-chloro-α-methyl-1-(2-chlorophenyl)ethanamine(SALTDATA: HCl)BenzeneMethanaMine, 2-chloro-.alpha.-Methyl-
SCHEMBL703283SCHEMBL3483029RJPLGQTZHLRZGX-UHFFFAOYSA-NALBB-002134BBL017883STK488083AKOS000264391AKOS016051750
Database identifiers
- CAS
39959-67-6- PubChem CID
- 299767
- DTXSID
DTXSID00305986- EC Number
- 815-181-9
- Nikkaji
- J1.848.265G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 3 Torr)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.5 · 8.50±0.10(Predicted)
- form
- liquid
- color
- Black
- InChI
- 1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
- InChIKey
- RJPLGQTZHLRZGX-UHFFFAOYSA-N
- SMILES
- CC(N)c1ccccc1Cl
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
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
Danger
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (50%)；Eye Dam. 1 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2921199990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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