Merck
CN
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文件

20801

Sigma-Aldrich

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.)

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别名:
三氯叔丁醇 半水合物, 丙酮合氯仿, 氯丁醇
线性分子式:
Cl3CC(CH3)2OH · 0.5H2O
CAS号:
6001-64-5
分子量:
186.46
Beilstein:
878167
EC 号:
249-042-3
MDL编号:
MFCD02179352
PubChem化学物质编号:
57647873

质量水平

200

检测方案

98-100.5% (calc with ref. to anhyd. subst.)

形式

solid

质量

meets analytical specification of Ph. Eur., BP, NF

杂质

≤0.002% heavy metals (as Pb)
4.5-5.5% water (Karl Fischer)

灼烧残渣

≤0.1% (as SO4)

mp

76-80 °C

痕量阴离子

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

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应用

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.

生化/生理作用

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.

象形图

Exclamation mark
GHS07

警示用语：

Warning

危险声明

H302

危险分类

Acute Tox. 4 Oral

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

212.0 °F - closed cup

闪点(°C)

100 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

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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
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
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
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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