CAS 34837-55-3 Bromoselenobenzene (HCID 123446)

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Basic information

CAS: 34837-55-3
Standard SMILES: Br[Se]c1ccccc1
InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
Molecular formula: C6H5BrSe
Average molar mass: 235.98 g/mol
Monoisotopic mass: 235.87398356

Names & identifiers

Preferred name: Bromoselenobenzene
IUPAC: phenyl selenohypobromite
English name: PHENYLSELENYL BROMIDE
Molecular formula: C6H5BrSe
Molecular weight: 235.97

Names & synonyms

Phenylselenyl bromide34837-55-3Benzeneselenenyl bromideBromoselenobenzeneEINECS 252-238-1DTXSID50188387RefChem:570391DTXCID80110878252-238-1Phenylselenenyl bromidephenyl selenohypobromitePhenyl hypobromoselenoite

Show more names

PhenylbromoseleniumPhenylbromo selenidePhenylseleno bromidePhenylselenium bromidephenylselenohypobromite

PhSeBrMFCD00000047phenylselenylbromideBenzeneselenyl bromide(PHENYLSELANYL)BROMANEphenyl selenium bromideSCHEMBL27929CHEMBL3335713

Database identifiers

CAS: 34837-55-3
PubChem CID: 123446
DTXSID: DTXSID50188387
ChEMBL: CHEMBL3335713
UNII: SSC5P7WU8V
EC Number: 252-238-1
Nikkaji: J88.967I

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 59.5

Physicochemical properties

Melting point: 58 · 58-62 °C (lit.)
Boiling point: 107 · 107-108 °C/15 mmHg (lit.)
Flash point: 107 · 107-108°C/15mm
storage temp.: 2 · 2-8°C
solubility: Soluble in toluene, very faint turbidity.
form: solid
color: Orange to Brown to Dark purple
Odor: unpleasant smell.
Sensitive: Moisture Sensitive
BRN: 2039772 · 2039772
Exposure limits: 0.2 mg/m3NIOSH: · ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
InChI: InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
SMILES: [Se](C1=CC=CC=C1)Br
CAS DataBase Reference: 34837 · 34837-55-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (84.8%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P390, P391, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPhenylselenyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesMet. Corr. 1 (84.8%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2928 6.1/PG 2
hs_code: 29319090
risk_code: 23/25-33-50/53
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08,GHS09
hazard_code: T,N
safety_code: 20/21-28-45-60-61
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H290-H301+H331-H373-H410

Chemistry & industry

Applications · 1 item

UsesEmployed in the synthesis of enones by selenenylation of α-cyano ketones with lithium naphthalenide. Phenylselenyl bromide was used in the preparation of exo-2-methyl-7-phenylselenyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione and endo-2-methyl-7-phenylselanyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione.