Introduction：Basic information about CAS 5929-09-9|benzethonium chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | benzethonium chloride |
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| CAS Number | 5929-09-9 | Molecular Weight | 448.08100 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C27H42ClNO2 | Melting Point | 158ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | benzethonium chloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Melting Point | 158ºC |
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| Molecular Formula | C27H42ClNO2 |
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| Molecular Weight | 448.08100 |
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| Exact Mass | 447.29000 |
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| PSA | 18.46000 |
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| LogP | 3.07640 |
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| InChIKey | VAPZFIMSURJAMN-UHFFFAOYSA-M |
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| SMILES | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.O.[Cl-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- BO7180000
- CHEMICAL NAME :
- Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phen oxy)ethoxy)ethyl)-, chloride, monohydrate
- CAS REGISTRY NUMBER :
- 5929-09-9
- LAST UPDATED :
- 199604
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C27-H42-N-O2.Cl.H2-O
- MOLECULAR WEIGHT :
- 466.17
- WISWESSER LINE NOTATION :
- 1X1&1&1X1&1&R DO2O2K1&1&1R &Q &G &QH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 420 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,121,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 33 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,121,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 19 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,121,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00430
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Safety Information
Customs
Synonyms
| PHEMEROL |
| BENZYLDIISOBUTYLPHENOXYETHOXYDIMETHYLAMMONIUM CHLORIDE H2O |
| EINECS 204-479-9 |
| BENZETHONIUM CHLORIDE MONOHYDRATE |
| phemerolchloridemonohydrate |
| MFCD00149978 |
| OCTYLPHENOXYETHOXYETHYL DIMETHYL-BENZYL AMMONIUM CHLORIDE HYDRATE |
| QATS |
