1-(3-Amino-4-bromophenyl)ethan-1-one
Basic information
- CAS
37148-51-9- Standard SMILES
CC(=O)c1ccc(Br)c(N)c1- InChIKey
HYRBHUHCBGRDHI-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO
- Average molar mass
- 214.06 g/mol
- Monoisotopic mass
- 212.97893
Names & identifiers
- Preferred name
- 1-(3-Amino-4-bromophenyl)ethan-1-one
- IUPAC
- 1-(3-amino-4-bromophenyl)ethanone
- English name
- 3′-AMino-4′-broMoacetophenone
- Molecular formula
- C8H8BrNO
- Molecular weight
- 214.06
Names & synonyms
1-(3-amino-4-bromophenyl)ethan-1-oneRefChem:423252686-950-21-(3-amino-4-bromophenyl)ethanone37148-51-93'-amino-4'-bromoacetophenoneMFCD004664511-(3-Amino-4-bromo-phenyl)-ethanone3-amino-4-bromo acetophenone3 inverted exclamation marka-Amino-4 inverted exclamation marka-bromoacetophenoneSR-01000388877SR-01000388877-1
Show more names
3′-AMino-4′-broMoacetophenone1-(3-amino-4-bromophenyl)ethylone1-(3-amino-4-bromophenyl)ethanone*Ethanone, 1-(3-amino-4-bromophenyl)-1-(3-amino-4-bromophenyl)ethanone(WX191918)1-(3-Amino-4-bromophenyl)ethan-1-one - [A92919]
Z12692187103?-Amino-4?-bromoacetophenoneSCHEMBL7109894DTXSID30345956MBA14851STL3707811-(3-amino-4-bromo-phenyl)ethanoneAKOS021983139
Database identifiers
- CAS
37148-51-9- PubChem CID
- 608294
- DTXSID
DTXSID30345956- EC Number
- 686-950-2
- Nikkaji
- J2.711.758I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 114 · 114-118°C
- form
- solid
- InChI
- 1S/C8H8BrNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
- InChIKey
- HYRBHUHCBGRDHI-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(Br)c(N)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-43
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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
- wgk
- 3
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352
Related reactions
2 records
Compound notes
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