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Merck
CN

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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关于此项目

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
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Quality Level

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)

SMILES string

O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl

InChI

1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2

InChI key

WRWLCXJYIMRJIN-UHFFFAOYSA-N

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.


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pictograms

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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



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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



全球贸易项目编号

货号GTIN
20801-2.5KG04061835541065