20801
1,1,1-三氯-2-甲基-2-丙醇 半水合物
meets analytical specification of Ph. Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)
别名:
三氯叔丁醇 半水合物, 丙酮合氯仿, 氯丁醇
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线性分子式:
Cl3CC(CH3)2OH · 0.5H2O
化学文摘社编号:
分子量:
186.46
UNSPSC Code:
41116107
NACRES:
NA.21
PubChem Substance ID:
EC Number:
249-042-3
Beilstein/REAXYS Number:
878167
MDL number:
Assay:
98-100.5% (calc with ref. to anhyd. subst.)
Form:
solid
InChI key
WRWLCXJYIMRJIN-UHFFFAOYSA-N
InChI
1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
SMILES string
O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl
assay
98-100.5% (calc with ref. to anhyd. subst.)
form
solid
quality
meets analytical specification of Ph. Eur., BP, NF
impurities
≤0.002% heavy metals (as Pb), 4.5-5.5% water (Karl Fischer)
ign. residue
≤0.1% (as SO4)
mp
76-80 °C
anion traces
chloride (Cl-): ≤100 mg/kg
application(s)
pharmaceutical (small molecule)
Quality Level
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Application
1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) is a preservative used as a standard for quantifying preservatives in pharmaceutical formulations by using capillary electrophoretic method. It has also been used to anesthetize leeches for preparing c-DNA library from regenerating retzius cells.
Biochem/physiol Actions
Chlorobutanol or 1,1,1-Trichloro-2-methyl-2-propanol is a opthalmic preservative and sedative hypnotic that possess antibacterial and antifungal properties. It also decreases the conduction velocity and induces conduction failure and automaticity within isolated ventricular muscle strips as well as impacts myocardial cells by acting on cell membrane and reduces isometric tension produced by heart.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
212.0 °F - closed cup
flash_point_c
100 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
S Korneev et al.
Invertebrate neuroscience : IN, 3(2-3), 185-192 (1998-10-23)
We have constructed a subtractive cDNA library from regenerating Retzius cells of the leech, Hirudo medicinalis. It is highly enriched in sequences up-regulated during nerve regeneration. Sequence analysis of selected recombinants has identified both novel sequences and sequences homologous to
Elena S Novitskaya et al.
Clinics in dermatology, 29(3), 295-299 (2011-04-19)
Identifying contact allergens in ophthalmic medications can be a challenging and daunting experience. We summarize data on topical ophthalmic medications with the potential to cause periorbital contact dermatitis and allergic conjunctivitis, highlighting current dilemmas and controversies in this area. The
K Hermsmeyer et al.
The American journal of physiology, 230(2), 306-310 (1976-02-01)
The negative inotropic effect of a commonly used formulation of bradykinin (Sandoz BRS-640) was found to be due to chlorobutanol, a constituent of the preparation. Solutions containing up to 100 mug of crystalline bradykinin/ml had no effect on tension or
Małgorzata Jaworska et al.
Journal of separation science, 28(2), 137-143 (2005-03-10)
Preservatives are used to protect pharmaceutical formulations from microbial attack during the period of administration to the patient. Because of their biological activity, preservatives have to be identified and assayed according to the same rules as apply to active components.
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