Basic information
- CAS
5467-71-0- Standard SMILES
Cl.NCC(=O)c1ccc(Cl)cc1- InChIKey
OVKMQHKVUWBLSV-UHFFFAOYSA-N- Molecular formula
- C8H9Cl2NO
- Average molar mass
- 206.07 g/mol
- Monoisotopic mass
- 205.00611927
Names & identifiers
- Preferred name
- 2-Amino-1-(4-chlorophenyl)ethan-1-one hydrochloride
- IUPAC
- 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
- English name
- 2-Amino-4'-chloroacetophenone hydrochloride
- Molecular formula
- C8H9Cl2NO
- Molecular weight
- 206.07
Names & synonyms
2-amino-1-(4-chlorophenyl)ethan-1-one hydrochlorideRefChem:463160815-204-25467-71-02-amino-1-(4-chlorophenyl)ethanone Hydrochloride2-Amino-4'-chloroacetophenone hydrochlorideMFCD001930612-amino-4'-chloroacetophenone hcl2-Amino-1-(4-chloro-phenyl)-ethanone hydrochloride4-Chlorophenacylamine hydrochloride2-amino-1-(4-chlorophenyl)-1-ethanone hydrochloride2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
Show more names
4-Chloro-aMino ketone2-Amino-4Chloroacetophenone Hcl4-Chlorophenacylamine hydrochloride 95%2-Amino-1-(4-chlorophenyl)ethanone, HCl2-amino-4’-chloro-acetophenonhydrochloride4-chloro-omega-aminoacetophenonehydrochloride[2-(4-chlorophenyl)-2-oxoethyl]azanium chloride
Ethanone, 2-amino-1-(4-chlorophenyl)-, hydrochloride2-amino-1-(4-chlorophenyl)ethanone HClorb3029713SCHEMBL12189982-Amino-4\'-chloroacetophenoneDTXSID40969965OVKMQHKVUWBLSV-UHFFFAOYSA-N2-AMINO-1-(4-CHLORO-PHENYL)-ETHANONE; HYDROCHLORIDE
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- 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
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
Suppliers75 total
河南萨克斯生物科技有限公司13803717460 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
23 records
Compound notes
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