Basic information
- CAS
3772-94-9- Standard SMILES
CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
MKNJWAXSYGAMGJ-UHFFFAOYSA-N- Molecular formula
- C18H23Cl5O2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 446.01406838
Names & identifiers
- Preferred name
- Pentachlorophenyl laurate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) dodecanoate
- English name
- Pentachlorophenol dodecanoate
- Molecular formula
- C18H23Cl5O2
- Molecular weight
- 448.64
Names & synonyms
Pentachlorophenyl lauratePentachlorophenyl dodecanoateMystox LPLMystoxMystox LSDMystox LSLDodecanoic acid, pentachlorophenyl esterCaswell No. 521ALauryl pentachlorophenateLauroyl pentachlorophenateEINECS 223-220-0NSC 77542
Show more names
Nsc77542mystoxlslmystoxlsdmystoxlplpentachlorophenylpentachlorophenyllauratelaurylpentachlorophenatepentachlorophenyllaurate.
EPA Pesticide Chemical Code 063010UNII-W6129G97EOBRN 2170975AI3-17004W6129G97EONSC-77542Dodecanoic acid, 2,3,4,5,6-pentachlorophenyl esterDTXSID9058078
Database identifiers
- CAS
3772-94-9- PubChem CID
- 62524
- DTXSID
DTXSID9058078- UNII
- W6129G97EO
- EC Number
- 223-220-0
- Nikkaji
- J60.229I
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 46.5 °C · 46.5 °C
- Boiling point
- 210 °C · 210 °C(Press: 2 Torr)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- vapor pressure
- 2 x · 2.0 x l0-6 Pa (20 °C) (est.)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Hexanes (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3
- InChIKey
- MKNJWAXSYGAMGJ-UHFFFAOYSA-N
- SMILES
- Clc1c(c(c(c(c1Cl)Cl)OC(=O)CCCCCCCCCCC)Cl)Cl
- FDA UNII
- 6129 G97EO · W6129G97EO
- EPA Substance Registry System
- Pentachlorophenyl laurate (3772-94-9)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
Substance: Pentachlorophenyl laurate
Other Safety InformationIMAP assessments - Dodecanoic acid, pentachlorophenyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301+H331-H312-H315-H319-H350-H371
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P260-P280-P301+P310-P304+P340
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanoic acid, 2,3,4,5,6-pentachlorophenyl ester: ACTIVE
Applications
UsesPentachlorophenyl Laurate is a fungicide and is a pollutant found in freshwater and marine environment of European Union.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
天津康利欣科技有限公司18622939839
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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