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Safety Information

278823

Sigma-Aldrich

4-Chloro-1-butanol

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:
1731408
MDL number:
MFCD00002967
UNSPSC Code:
12352100
PubChem Substance ID:
24856834
NACRES:
NA.22

grade

technical grade

Quality Level

200

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.)

functional group

chloro
hydroxyl

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

Signal Word

Warning

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

Supplementary Hazards

EUH019

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

96.8 °F - closed cup

Flash Point(C)

36 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

278823-VAR:
278823-50ML:4548174005774
278823-250ML:4548174005767
278823-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK0710
BCBP6420V
BCCC9499
BCBG4312V
BCBG4312

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Chlorobutanol United States Pharmacopeia (USP) Reference Standard

USP

1112503

Chlorobutanol

1-Bromo-4-chlorobutane 99%

Sigma-Aldrich

B60800

1-Bromo-4-chlorobutane

1,4-Dichlorobutane 99%

Sigma-Aldrich

D59100

1,4-Dichlorobutane

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
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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