2-Bromo-N-methyl-N-phenylacetamide
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Basic information
- CAS
29182-97-6- Standard SMILES
CN(C(=O)CBr)c1ccccc1- InChIKey
YLDILLQKQASWBA-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO
- Average molar mass
- 228.09 g/mol
- Monoisotopic mass
- 226.99458
Names & identifiers
- Preferred name
- 2-Bromo-N-methyl-N-phenylacetamide
- IUPAC
- 2-bromo-N-methyl-N-phenylacetamide
- English name
- 2-Bromo-N-methylacetanilide
- Molecular formula
- C9H10BrNO
- Molecular weight
- 228.09
Names & synonyms
2-bromo-N-methyl-N-phenylacetamideRefChem:467174803-485-429182-97-62-Bromo-N-methylacetanilideACETANILIDE, 2-BROMO-N-METHYL-Acetamide, 2-bromo-N-methyl-N-phenyl-(Bromoacetyl)methylaminobenzeneBRN 2091429MFCD01671340N-methyl-N-phenyl-2-bromoacetamideN-Fenyl-N-methylamid kyseliny bromoctove [Czech]
Show more names
2-bromo-N-methyl-N-benzeneacetamide2-bromo-N-methyl-N-phenylacetamide(SALTDATA: FREE)
N-Fenyl-N-methylamid kyseliny bromoctove3-12-00-00466 (Beilstein Handbook Reference)2-Bromo-N-methyl-N-phenyl-acetamideN-Methyl-2-bromoacetanilideN-Methyl-N-phenylbromoacetamideSCHEMBL2189058DTXSID80183441YLDILLQKQASWBA-UHFFFAOYSA-N
Database identifiers
- CAS
29182-97-6- PubChem CID
- 34495
- DTXSID
DTXSID80183441- EC Number
- 803-485-4
- Nikkaji
- J54.142G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 46.8 · 46.8-47.3 °C
- Boiling point
- 277.3 · 277.3±23.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 0.33 · 0.33±0.50(Predicted)
- form
- solid
- Appearance
- Gray to brown Solid
- InChI
- 1S/C9H10BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChIKey
- YLDILLQKQASWBA-UHFFFAOYSA-N
- SMILES
- O=C(CBr)N(C)C1=CC=CC=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 9650000 · AD9650000
- HazardClass
- IRRITANT
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- wgk
- 3
- rtecs
- AD9650000
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
8 records
Compound notes
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