Chloroselenobenzene
Basic information
- CAS
5707-04-0- Standard SMILES
Cl[Se]c1ccccc1- InChIKey
WJCXADMLESSGRI-UHFFFAOYSA-N- Molecular formula
- C6H5ClSe
- Average molar mass
- 191.53 g/mol
- Monoisotopic mass
- 191.92449914
Names & identifiers
- Preferred name
- Chloroselenobenzene
- IUPAC
- phenyl selenohypochlorite
- English name
- Phenylselenenyl chloride
- Molecular formula
- C6H5ClSe
- Molecular weight
- 191.52
Names & synonyms
Phenylselenyl chlorideBenzeneselenenyl chlorideChloroselenobenzeneEINECS 227-196-2DTXSID00205679RefChem:575948DTXCID80128170227-196-25707-04-0Phenylselenenyl chloridephenyl selenohypochloriteBenzeneselenyl chloride
Show more names
phenyl hypochloroselenoiteenenyLPhenylchloroseleniumPhenylseleno chloride
(phenylselanyl)chloraneMFCD00000478PhSeClCHEMBL3335712Phenylselenium chlorideChlorophenylselenium; Phenylselenium chloride; Phenylselenium monochloride; Phenylselenyl chloridephenylselenenylchlorideC6H5ClSe
Database identifiers
- CAS
5707-04-0- PubChem CID
- 21928
- DTXSID
DTXSID00205679- ChEMBL
CHEMBL3335712- EC Number
- 227-196-2
- Nikkaji
- J81.084C
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.5
Physicochemical properties
- Melting point
- 59 · 59-62 °C (lit.)
- Boiling point
- 120 °C/20 · 120 °C/20 mmHg (lit.)
- Flash point
- 120 °C/20mm · 120°C/20mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Soluble in methanol.
- form
- crystal
- color
- red
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- Sensitive
- Moisture Sensitive
- BRN
- 1237091 · 1237091
- Exposure limits
- 0.2 mg/m3NIOSH: · ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
- Stability
- Stable, but may be air or moisture sensitive. Incompatible with strong bases, strong oxidizing agents.
- InChI
- InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
- InChIKey
- WJCXADMLESSGRI-UHFFFAOYSA-N
- SMILES
- C1([Se]Cl)=CC=CC=C1
- CAS DataBase Reference
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
Danger
H290 (86.7%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPhenylselenyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesMet. Corr. 1 (86.7%)
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- No
- 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
Chemistry & industry
Applications
UsesPhenylselenenyl chloride is used in the preparation of (cyclobut-1-enylselanyl)benzene. It is an important versatile reagent used in organic synthesis. Further, it serves as a useful synthon for 2-amino alcohols.
General DescriptionPhenylselenyl chloride is a synthon for 2-amino alcohols. It is a versatile reagent in organic synthesis.
Related reactions
52 records
Compound notes
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