4-bromo-N-phenylbenzamide
Basic information
- CAS
6846-12-4- Standard SMILES
O=C(Nc1ccccc1)c1ccc(Br)cc1- InChIKey
QVTGXXQAVWWJRO-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO
- Average molar mass
- 276.13 g/mol
- Monoisotopic mass
- 274.99458
Names & identifiers
- Preferred name
- 4-bromo-N-phenylbenzamide
- IUPAC
- 4-bromo-N-phenylbenzamide
- English name
- 4-Bromo-N-phenylbenzamide
- Molecular formula
- C13H10BrNO
- Molecular weight
- 276.13
Names & synonyms
4-bromo-N-phenylbenzamide6846-12-4DTXSID70351112RefChem:291084DTXCID20302179N-Phenyl 4-bromobenzamide4-Bromo-N-phenyl-benzamideMFCD00624477Maybridge1_0042784-Bromobenzanilide, 97%N1-phenyl-4-bromobenzamide(4-bromophenyl)-N-benzamide
Show more names
4-BromobenzanilideBenzaMide, 4-broMo-N-phenyl-
SCHEMBL5080945HMS553K12QVTGXXQAVWWJRO-UHFFFAOYSA-NSTK044507AKOS000178033AS-58621ST010186CS-0194943
Database identifiers
- CAS
6846-12-4- PubChem CID
- 690966
- DTXSID
DTXSID70351112- EC Number
- 676-759-2
- Nikkaji
- J570.614I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 205 °C · 205 °C
- Boiling point
- 304.7 · 304.7±25.0 °C(Predicted)
- Density
- 1.496 · 1.496±0.06 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.70(Predicted)
- CAS DataBase Reference
- 6846 · 6846-12-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- HS Code
- 2924297099 · 2924297099
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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