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Substance Name: 1-Monochloropinacoline
RN: 13547-70-1
UNII: Z6QD905NNW
InChIKey: ULSAJQMHTGKPIY-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C6-H11-Cl-O
Molecular Weight
- 134.605
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Names and Synonyms
Name of Substance
- 1-Monochloropinacoline
Synonyms
- 1-Chloro-3,3-dimethyl-2-butanone
- 1-Chloropinacolone
- 1-Monochloropinacoline
- alpha-Chloropinacolin
- alpha-Chloropinacoline
- Chloromethyl tert-butyl ketone
- Chlorpinakolin
- EINECS 236-920-6
- tert-Butyl chloromethyl ketone
- UNII-Z6QD905NNW
Systematic Names
- 1-Chloro-3,3-dimethylbutan-2-one
- 2-Butanone, 1-chloro-3,3-dimethyl-
Superlist Name
- 2-Butanone, 1-chloro-3,3-dimethyl-
Registry Numbers
CAS Registry Number
- 13547-70-1
FDA UNII
- Z6QD905NNW
System Generated Number
- 0013547701
Structure Descriptors
InChI
InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3InChIKey
ULSAJQMHTGKPIY-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 4600mg/m3 (4600mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987. | |
mouse | LD50 | oral | 355mg/kg (355mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987. | |
rabbit | LD50 | oral | 675mg/kg (675mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987. | |
rat | LD50 | oral | 550mg/kg (550mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987. |