CAS 5707-04-0 Chloroselenobenzene (HCID 21928)

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 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: 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: 5707 · 5707-04-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 290 · H290-H301+H331-H373-H410
Precautionary statements: 234 · P234-P260-P273-P301+P310-P304+P340+P311-P314
PPE: 95 · dust mask type N95 (US), 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: 2928 · UN 2928 6.1/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
TSCA: No
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29319090 · 29319090
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Met. Corr. 1STOT RE 2
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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
packing_group: II
Hazard statements: H290-H301+H331-H373-H410
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Met. Corr. 1STOT RE 2
Precautionary statements: P234-P260-P273-P301+P310-P304+P340+P311-P314

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.