Basic information
- CAS
18942-25-1- Standard SMILES
CC(C)(C)OC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
GHBRKMLMVFKZKW-UHFFFAOYSA-N- Molecular formula
- C11H9Cl5O3
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 363.899433
Names & identifiers
- Preferred name
- Carbonic acid, 1,1-dimethylethyl pentachlorophenyl ester
- IUPAC
- tert-butyl (2,3,4,5,6-pentachlorophenyl) carbonate
- English name
- TERT-BUTYL PENTACHLOROPHENYL CARBONATE
- Molecular formula
- C11H9Cl5O3
- Molecular weight
- 366.45
Names & synonyms
RefChem:574363Carbonic acid, 1,1-dimethylethyl pentachlorophenyl ester677-958-7tert-Butyl Pentachlorophenyl Carbonate18942-25-1tert-butyl (2,3,4,5,6-pentachlorophenyl) carbonateMFCD00015947tert-butyl (perchlorophenyl) carbonatetert-Butyl 2,3,4,5,6-pentachlorophenyl carbonateCarbonic acid, 1,1-dimethylethyl pentachlorophenyl ester (9CI)C11H9Cl5O3GHBRKMLMVFKZKW-UHFFFAOYSA-
Show more names
BOC-O-PCPBOC-PENTACHLOROPHENYL ESTERButylpentachlorophenylcarbonatetert-Butyl Pentachlorophenyl Carbonate >tert-Butyl Pentachlorophenyl CarbonateCarbonic acid tert-butylpentachlorophenyl esterPENTACHLOROPHENYLCARBONIC ACID TERT-BUTYL ESTER
DTXSID10337910GHBRKMLMVFKZKW-UHFFFAOYSA-Nt-butyl pentachlorophenyl carbonatetert-butyl(perchlorophenyl)carbonatetert-butyl (perchlorophenyl)carbonateBS-21955DB-257031CS-0205337
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 117 °C · 117 °C
- Boiling point
- 411.736 · 411.736±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- CAS DataBase Reference
- 18942 · 18942-25-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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 InformationSubstance: Carbonic acid, 1,1-dimethylethyl pentachlorophenyl ester
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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