Phenkapton
Basic information
- CAS
2275-14-1- Standard SMILES
CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl- InChIKey
GGNLTHFTYNDYNK-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2O2PS3
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 375.9348856
Overview
Phenkapton is an organic sulfide.
Names & identifiers
- Preferred name
- Phenkapton
- IUPAC
- (2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
- English name
- PHENKAPTON
- Molecular formula
- C11H15Cl2O2PS3
- Molecular weight
- 377.31
Names & synonyms
PHENKAPTON2275-14-1PhencaptonPhenkaptonePhenudinPhenkapton [ISO]PhenatolFenkapton [Dutch]PrzedziorkofosFenkaptonGeigy G-28029Caswell No. 335B
Show more names
g28029ent25,585geigy28029geigyg-28029
Przedziorkofos [Polish]Geigy 28029DTXSID3042269EINECS 218-892-7UNII-CNR73N2K09ENT 25,585EPA Pesticide Chemical Code 335300BRN 2473741
Database identifiers
- CAS
2275-14-1- PubChem CID
- 16773
- DTXSID
DTXSID3042269- ChEMBL
CHEMBL3185554- ChEBI
CHEBI:82144- UNII
- CNR73N2K09
- EC Number
- 218-892-7
- Nikkaji
- J2.144J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 0.001 Torr)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Oil
- color
- Colourless
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 73 N2K09 · CNR73N2K09
- EPA Substance Registry System
- Phenkapton (2275-14-1)
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H410
- Precautionary statements
- 264 · P264-P270-P280-P261-P271-P273-P301+P310-P330-P302+P352-P312-P361+P364-P304+P340-P311-P391-P405-P403+P233-P501
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
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Flammable liquids - Category 3
Acute Tox. 3 *
Safety data
- ridadr
- 3018
- Toxicity
- LD50 orl-rat: 61 mg/kg PAPOAC 19,415,68
- risk_code
- 23/24/25-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 13-45-60-61
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H301-H311-H331-H410
- Precautionary statements
- P264-P270-P280-P261-P271-P273-P301+P310-P330-P302+P352-P312-P361+P364-P304+P340-P311-P391-P405-P403+P233-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesPhenkapton is an antiparasitic agent.
Additional notes
DefinitionChEBI: Phenkapton is an organic sulfide.
Suppliers
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Related reactions
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Compound notes
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