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4-Chloro-1-butanol

Name: 4-Chloro-1-butanol
Brand: ALDRICH

technical grade, ~85%

Synonym(s):

Tetramethylene chlorohydrin

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About This Item

Linear Formula:

HO(CH₂)₄Cl

CAS Number:

928-51-8

Molecular Weight:

108.57

Beilstein/REAXYS Number:

1731408

MDL number:

MFCD00002967

UNSPSC Code:

12352100

PubChem Substance ID:

24856834

NACRES:

NA.22

grade

technical grade

assay

~85%

form

liquid

refractive index

n20/D 1.453 (lit.)

bp

84-85 °C/16 mmHg (lit.)

density

1.088 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

OCCCCCl

InChI

1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2

InChI key

HXHGULXINZUGJX-UHFFFAOYSA-N

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General description

4-Chloro-1-butanol, an alkylating agent, is one of the genotoxic impurity in active pharmaceutical ingredients. Reaction of 4-chloro-1-butanol and Reichardt′s dye has been monitored spectrophotometrically for the determination of genotoxic impurities in pharmaceuticals.

Application

4-Chloro-1-butanol was employed as an internal standard in the analysis of genotoxic impurities in active pharmaceutical ingredients by GC-MS technique.

Other Notes

Contains tetrahydrofuran and HCl

pictograms

GHS02,GHS08,GHS05,GHS07

signalword

Warning

hcodes

H226,H290,H302,H315,H319,H335,H351

pcodes

P202 - P210 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338 - P308 + P313

Hazard Classifications

Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 3 - Met. Corr. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

supp_hazards

EUH019

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

96.8 °F - closed cup

flash_point_c

36 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Development and validation of a sensitive GC-MS method for the determination of alkylating agent, 4-chloro-1-butanol, in active pharmaceutical ingredients.

Koki Harigaya et al.

Chemical & pharmaceutical bulletin, 62(4), 395-398 (2014-04-04)

The analysis of genotoxic impurities (GTIs) in active pharmaceutical ingredients (APIs) is a challenging task. The target detection limit (DL) in an API is typically around 1 ppm (1 µg/g API). Therefore, a sensitive and selective analytical method is required for their

Reichardt's dye and its reactions with the alkylating agents 4-chloro-1-butanol, ethyl methanesulfonate, 1-bromobutane and Fast Red B - a potentially useful reagent for the detection of genotoxic impurities in pharmaceuticals.

Damion K Corrigan et al.

The Journal of pharmacy and pharmacology, 61(4), 533-537 (2009-03-21)

Alkylating agents are potentially genotoxic impurities that may be present in drug products. These impurities occur in pharmaceuticals as by-products from the synthetic steps involved in drug production, as impurities in starting materials or from in-situ reactions that take place

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