CAS 49851-55-0 2-Bromophenacyl Bromide (HCID 2737522)

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Basic information

CAS: 49851-55-0
Standard SMILES: O=C(CBr)c1ccccc1Br
InChIKey: LAXPJIJQTHJGCK-UHFFFAOYSA-N
Molecular formula: C8H6Br2O
Average molar mass: 277.94 g/mol
Monoisotopic mass: 275.87853901

Names & identifiers

Preferred name: 2-Bromophenacyl Bromide
IUPAC: 2-bromo-1-(2-bromophenyl)ethanone
English name: 2-Bromophenacyl bromide
Molecular formula: C8H6Br2O
Molecular weight: 277.94

Names & synonyms

2-Bromophenacyl bromideRefChem:467287689-312-149851-55-02-bromo-1-(2-bromophenyl)ethanone2-Bromo-1-(2-bromophenyl)ethan-1-one2,2'-Dibromoacetophenone2-Bromo-1-(2-bromo-phenyl)-ethanone2-BromophenacylBromide2-Bromo-2'-bromoacetophenoneMFCD00044660bromphenacyl bromide

Show more names

Tuloterol Impurity 35.2-Bromophenacyl Bromide >2-Bromo-2'-bromoacetophenoneALPHA-Bromo-o-bromacetophenone

Ethanone, 2-bromo-1-(2-bromophenyl)-2-Bromophenacylbromide90%2-Bromophenacylbromide97%2-Bromophenacyl bromide, techSCHEMBL166468SCHEMBL29758522DTXSID10372109LAXPJIJQTHJGCK-UHFFFAOYSA-N

Database identifiers

CAS: 49851-55-0
PubChem CID: 2737522
DTXSID: DTXSID10372109
EC Number: 689-312-1
Nikkaji: J2.080.978G

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Boiling point: 90 · 90-92°C/0.02mm
Density: 1.848 · 1.848±0.06 g/cm3(Predicted)
refractive index: 1.61 · 1.6100-1.6140
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: clear liquid
color: Colorless to Light orange to Yellow
Sensitive: Lachrymatory
InChI: InChI=1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKey: LAXPJIJQTHJGCK-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC=C1Br)CBr
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H314
Precautionary statements: 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Hazard Codes: C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (33.3%)

Safety data

ridadr: 3261
hs_code: 2914790090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_class: 8
packing_group: III
Hazard statements: H290-H314
Precautionary statements: P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501