Basic information
- CAS
614-76-6- Standard SMILES
CC(=O)Nc1ccccc1Br- InChIKey
VOBKUOHHOWQHFZ-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO
- Average molar mass
- 214.06 g/mol
- Monoisotopic mass
- 212.97893
Names & identifiers
- Preferred name
- 2'-Bromoacetanilide
- IUPAC
- N-(2-bromophenyl)acetamide
- English name
- 2'-Bromoacetanilide
- Molecular formula
- C8H8BrNO
- Molecular weight
- 214.06
Names & synonyms
N-(2-Bromophenyl)acetamide2'-BromoacetanilideRefChem:439577627-343-4614-76-62-bromoacetanilideo-BromoacetanilideAcetamide, N-(2-bromophenyl)-MFCD00099252Acetanilide, 2'-bromo-N-(2-bromo-phenyl)-acetamideo-bromo acetanilide
Show more names
NISTC6147662'-Bromoacetanilide >N-Acetyl-2-bromoaniline2'-Bromoacetanilide, 98+%
2-(Acetylamino)bromobenzene; 2-Bromo-N-acetylaniline; 2'-Bromoacetanilide; N-(2- Bromophenyl)acetamide; N-Acetyl-2-bromoaniline; o-Bromoacetanilideortho-bromoacetanilide2-Bromo-N-acetylaniline2'-Bromoacetanilide, 96%2-bromo-1-acetylaminobenzeneSCHEMBL4226362-bromo-1-acetylamino-benzeneN-(2-Bromophenyl)acetamide #
Database identifiers
- CAS
614-76-6- PubChem CID
- 136416
- DTXSID
DTXSID10210330- EC Number
- 627-343-4
- Nikkaji
- J29.484E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 96.5 · 96.5-100.5 °C(lit.)
- Boiling point
- 346.8 · 346.8±25.0 °C(Predicted)
- Density
- 1.543 · 1.543±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.19 · 14.19±0.70(Predicted)
- form
- Crystalline Powder
- color
- White
- BRN
- 2086970 · 2086970
- CAS DataBase Reference
- 614 · 614-76-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280g
- Hazard Codes
- Xi
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 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 Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Safety data
- wgk
- 3
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280g
Chemistry & industry
Applications
Uses2''-Bromoacetanilide is used as a reagent in the preparation of furan-2-ylmethylene thiazolidinediones as novel, potent, and selective inhibitors of phosphoinositide 3-kinase γ.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
14 records
Compound notes
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