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20801

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

meets analytical specification of Ph. Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)

Synonym(s):

β,β,β-Trichloro-tert-butyl alcohol hemihydrate, Acetone chloroform, Chlorobutanol

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About This Item

Linear Formula:
Cl3CC(CH3)2OH · 0.5H2O
CAS Number:
6001-64-5
Molecular Weight:
186.46
UNSPSC Code:
41116107
NACRES:
NA.21
PubChem Substance ID:
57647873
EC Number:
249-042-3
Beilstein/REAXYS Number:
878167
MDL number:
MFCD02179352
Assay:
98-100.5% (calc with ref. to anhyd. subst.)
Form:
solid
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Quality Segment

200

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

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

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

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