Basic information
- CAS
1132-39-4- Standard SMILES
c1ccc([Se]c2ccccc2)cc1- InChIKey
ORQWTLCYLDRDHK-UHFFFAOYSA-N- Molecular formula
- C12H10Se
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.99477162
Names & identifiers
- Preferred name
- Benzene, 1,1'-selenobis-
- IUPAC
- phenylselanylbenzene
- English name
- Diphenyl selenide
- Molecular formula
- C12H10Se
- Molecular weight
- 233.17
Names & synonyms
Show more names
Database identifiers
- CAS
1132-39-4- PubChem CID
- 14333
- DTXSID
DTXSID8061551- UNII
- K6MKC9X9CZ
- EC Number
- 214-474-3
- Nikkaji
- J13.767G
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 3 °C · 3°C
- Boiling point
- 115 · 115-117 °C(lit.)
- Density
- 1.338 g/mL · 1.338 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.6465(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- amber
- Water Solubility
- Immiscible with water.
- Sensitive
- Moisture Sensitive
- Exposure limits
- 0.2 mg/m3NIOSH: · ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
- InChI
- 1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
- InChIKey
- ORQWTLCYLDRDHK-UHFFFAOYSA-N
- SMILES
- [Se](c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 1132 · 1132-39-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 MKC9X9CZ · K6MKC9X9CZ
- EPA Substance Registry System
- Diphenyl selenide (1132-39-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H373-H410
- Precautionary statements
- 260 · P260-P264-P273-P301+P310-P304+P340+P311-P314
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,N
- Risk Statements
- 23 · 23/25-33-50/53
- Safety Statements
- 20 · 20/21-28-45-60-61
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1825000 · SX1825000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- 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
Danger
H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SX1825000
- ridadr
- UN 3082 9/PG 3
- 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
- II
- Hazard statements
- H301+H331-H373-H410
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
- Precautionary statements
- P260-P264-P273-P301+P310-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
Applications
UsesDiphenyl selenide is used for anti-selective Michael addition of thiols and their analogs to nitro-olefins.
General DescriptionDiphenyl selenide is an organoselenium compound. Its standard enthalpies of combustion, formation and the mean bond-dissociation energy have been calculated. Its potential as a neutral carrier to develop silver-selective membrane electrode has been investigated. Diphenyl selenide undergoes oxidation to form selenoxides on treating with N-bromosuccinimide followed by alkaline hydrolysis.
Upstream & downstream products
Downstream products
Suppliers46 total
Related reactions
Compound notes
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