Acetophenone, 2-amino-4'-chloro-, hydrochloride
Basic information
- CAS
5467-71-0- Standard SMILES
[Cl-].[NH3+]CC(=O)c1ccc(Cl)cc1- InChIKey
OVKMQHKVUWBLSV-UHFFFAOYSA-N- Molecular formula
- C8H9Cl2NO
- Average molar mass
- 206.07 g/mol
- Monoisotopic mass
- 205.0061193
Overview
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Names & identifiers
- Preferred name
- Acetophenone, 2-amino-4'-chloro-, hydrochloride
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl]azanium chloride
- English name
- 2-Amino-4'-chloroacetophenone hydrochloride
- Molecular formula
- C8H9Cl2NO
- Molecular weight
- 206.07
Names & synonyms
ACETOPHENONE, 2-AMINO-4'-CHLORO-, HYDROCHLORIDEEthanone, 2-amino-1-(4-chlorophenyl)-, hydrochlorideNSC 254044-Chloro-omega-aminoacetophenone hydrochlorideAKOS003621142[2-(4-chlorophenyl)-2-oxoethyl]azanium;chlorideEthanone,2-amino-1-(4-chlorophenyl)-, hydrochloride (1:1)4-Chloro-aMino ketone2-Amino-4Chloroacetophenone Hcl4-Chlorophenacylamine hydrochloride4-Chlorophenacylamine hydrochloride 95%2-Amino-1-(4-chlorophenyl)ethanone, HCl
Show more names
2-amino-4’-chloro-acetophenonhydrochloride2-Amino-4'-chloroacetophenone hydrochloride2-Amino-4'-chloroacetophenone hydrochloride4-chloro-omega-aminoacetophenonehydrochloride[2-(4-chlorophenyl)-2-oxoethyl]azanium chloride
Database identifiers
- CAS
5467-71-0- PubChem CID
- 21636
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 262 · 262
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
- InChIKey
- OVKMQHKVUWBLSV-UHFFFAOYSA-N
- SMILES
- C1(C(=O)CN)C=CC(Cl)=CC=1.Cl
- CAS DataBase Reference
- 5467 · 5467-71-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2922390090 · 2922390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922390090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H301+H331-H315-H319-H335
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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