CAS 17697-12-0 Phenylseleninyl benzeneseleninate (HCID 87253)

Names & identifiers

Preferred name: Phenylseleninyl benzeneseleninate
IUPAC: phenylseleninyl benzeneseleninate
English name: Benzeneseleninic anhydride
Molecular formula: C12H10O3Se2
Molecular weight: 360.13

Names & synonyms

17697-12-0phenylseleninyl benzeneseleninateBenzeneselenic anhydride69M675B633DTXSID10170228RefChem:563678DTXCID3092719241-701-3Benzeneseleninic anhydrideBenzeneseleninic acid anhydridePhenylseleninic AnhydrideBenzeneseleninic acid, phenylseleninyl ester

Show more names

PHENYLSELENIC ANHYDRIDEBenzene Selenenic AnhydrideBisbenzeneseleninic anhydrideBis(benzeneseleninic)anhydrideBenzeneseleninic anhydride,98%Di(benzeneseleninic acid)anhydride

MFCD00001991Bis(phenylseleninic) anhydridePhenylseleninic Anhydride;C12H10O3Se2Benzeneseleninic acid, anhydrideEINECS 241-701-3BENZENESELENINICANHYDRIDESCHEMBL1165959

Database identifiers

CAS: 17697-12-0
PubChem CID: 87253
DTXSID: DTXSID10170228
UNII: 69M675B633
EC Number: 241-701-3
Nikkaji: J287.128I

Properties

Computed structural properties

Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 165 · 165-170 °C (lit.)
Boiling point: 184.2 · 184.2±23.0 °C(Predicted)
storage temp.: RT, stored under nitrogen
form: solid
Appearance: White to off-white Solid
Sensitive: Moisture Sensitive
BRN: 2332406 · 2332406
InChI: InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H
InChIKey: FHPZOWOEILXXBD-UHFFFAOYSA-N
SMILES: C1([Se](O[Se](C2=CC=CC=C2)=O)=O)=CC=CC=C1
CAS DataBase Reference: 17697 · 17697-12-0(CAS DataBase Reference)
FDA UNII: 69 M675B633 · 69M675B633
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 301 · H301+H331-H373-H410
Precautionary statements: 273 · P273-P301+P310+P330-P304+P340+P311-P314
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,N
Risk Statements: 23 · 23/25-33-50/53
Safety Statements: 20 · 20/21-28-45-60-61
RIDADR: 3283 · UN 3283 6.1/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-21
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29310099 · 29310099
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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

Aggregated GHS information provided per 45 reports by companies from 5 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

Regulatory InformationBenzeneseleninic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Regulatory information

Regulatory InformationBenzeneseleninic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F: 3-10-21
PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3283 6.1/PG 2
hs_code: 29310099
risk_code: 23/25-33-50/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T,N
safety_code: 20/21-28-45-60-61
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301+H331-H373-H410
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
Precautionary statements: P273-P301+P310+P330-P304+P340+P311-P314

Chemistry & industry

Applications

UsesBenzeneseleninic acid anhydride was used to oxidize hydrazines to afford azo-compounds.

General DescriptionOxidation of phenols by benzeneseleninic acid anhydride yields ortho-quinones. Benzeneseleninic anhydride acts as a mild oxidant for the conversion of benzylic hydrocarbons into aldehydes or ketones.