Basic information
- CAS
1441-02-7- Standard SMILES
CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
RRYATXLRCBOQTJ-UHFFFAOYSA-N- Molecular formula
- C8H3Cl5O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 305.857568
Names & identifiers
- Preferred name
- Pentachlorophenol acetate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) acetate
- English name
- Pentachlorophenol acetate
- Molecular formula
- C8H3Cl5O2
- Molecular weight
- 308.37
Names & synonyms
PENTACHLOROPHENYL ACETATEPentachlorophenol acetate1441-02-7Pentachlorphenyl acetatePhenol, pentachloro-, acetatePhenol, 2,3,4,5,6-pentachloro-, 1-acetateBRN 1884908AI3-17304P161090PGBNSC-21472DTXSID00932216NSC 21472
Show more names
pentachloro-phenoacetatePenbutolol Impurity 10 Monomer-d9C15971000 PentachlorophenoLacetate2,3,4,5,6-Pentachlorophenyl acetateAcetic acid pentachlorophenyl esterPENTACHLORPHENYLACETAT PESTANAL PACKUNG
RefChem:859697DTXCID601360910635-082-2Rabcon(2,3,4,5,6-pentachlorophenyl) acetateUNII-P161090PGBSCHEMBL131595RRYATXLRCBOQTJ-UHFFFAOYSA-N
Database identifiers
- CAS
1441-02-7- PubChem CID
- 15041
- DTXSID
DTXSID00932216- UNII
- P161090PGB
- EC Number
- 635-082-2
- Nikkaji
- J7.489F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
LogP3.4
Physicochemical properties
- Boiling point
- 423.09 °C · 423.09°C (rough estimate)
- Density
- 1.7864 · 1.7864 (rough estimate)
- refractive index
- 1.555 · 1.5550 (estimate)
- Water Solubility
- 20 mg/L · 20mg/L(temperature not stated)
- BRN
- 1884908 · 1884908
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 161090 PGB · P161090PGB
- EPA Substance Registry System
- Pentachlorophenyl acetate (1441-02-7)
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311-H410
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P310-P302+P352+P312
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- SM6330000
- ridadr
- UN2811 6.1/PG 3
- risk_code
- 24/25-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 36/37-45-60-61
- Hazard statements
- H301+H311-H410
- Precautionary statements
- P264-P270-P273-P280-P301+P310-P302+P352+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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