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278823

Sigma-Aldrich

4-Chloro-1-butanol

technical grade, ~85%

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Synonym(s):
Tetramethylene chlorohydrin
Linear Formula:
HO(CH2)4Cl
CAS Number:
Molecular Weight:
108.57
Beilstein:
1731408
MDL number:
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Quality Level

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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Show Differences

1 of 4

This Item
29208733065360465
4-Chloro-1-butanol technical grade, ~85%

Sigma-Aldrich

278823

4-Chloro-1-butanol

-
1-Chloro-2-propanol 70%

Sigma-Aldrich

292087

1-Chloro-2-propanol

-
1-Butanol puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., ≥99.5% (GC)

Sigma-Aldrich

33065

1-Butanol

Essential Grade
1-Butanol ACS reagent, ≥99.4%

Sigma-Aldrich

360465

1-Butanol

Essential Grade
form

liquid

form

-

form

liquid

form

liquid

refractive index

n20/D 1.453 (lit.)

refractive index

n20/D 1.439 (lit.)

refractive index

n20/D 1.399 (lit.)

refractive index

n20/D 1.399 (lit.)

bp

84-85 °C/16 mmHg (lit.)

bp

126-127 °C (lit.)

bp

116-118 °C (lit.)

bp

116-118 °C (lit.)

density

1.088 g/mL at 25 °C (lit.)

density

1.111 g/mL at 25 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

storage temp.

2-8°C

storage temp.

-

storage temp.

-

storage temp.

-

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

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

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Chlorobutanol United States Pharmacopeia (USP) Reference Standard

USP

1112503

Chlorobutanol

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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