ChemicalBook CAS DataBase List 928-51-8

928-51-8

Name	4-Chloro-1-butanol
CAS	928-51-8
EINECS(EC#)	213-175-5
Molecular Formula	C4H9ClO
MDL Number	MFCD00002967
Molecular Weight	108.57
MOL File	928-51-8.mol

Synonyms

4-CHLORO-1-BUTANOL 4-CHLOROBUTANOL 4-CHLOROBUTANOL-1 TETRAMETHYLENE CHLOROHYDRIN 1-Butanol, 4-chloro- 4-Chlorbutan-1-ol 4-Chloro-1-butane-ol 4-chloro-1-butano 4-Chloro-1-hydroxybutane 4-Chlorobutane-1-ol 4-Chlorolbutanol 4-Chloro-n-butylclcohol Tetramethylenechlorohydrine 4-Chloro-1-butanol, Pract. 4-chlorobutan-1-ol 4-Choro-1-bytanol 4-CHLORO-1-BUTANOL, TECH., CA. 85% 4-Chloro-1-butanol, balance THF andHCl, 85% 4-CHLORO-1-BUTANOL TECH 85% 4-CHLORO-1-BUTANOL GC ABOUT 90%

Chemical Properties

Appearance	CLEAR COLOURLESS LIQUID
Boiling point	84-85 °C/16 mmHg (lit.)
density	1.088 g/mL at 25 °C(lit.)
refractive index	n20/D 1.453(lit.)
Fp	97 °F
storage temp.	2-8°C
solubility	Soluble in methanol, chloroform, and dimethyl sufoxide.
form	Liquid
pka	15.01±0.10(Predicted)
color	Clear colorless to light yellow
BRN	1731408
InChI	InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey	HXHGULXINZUGJX-UHFFFAOYSA-N
SMILES	C(O)CCCCl
CAS DataBase Reference	928-51-8(CAS DataBase Reference)
NIST Chemistry Reference	4-Chloro-1-butanol(928-51-8)
EPA Substance Registry System	928-51-8(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS05,GHS07,GHS08
Signal word	Warning
Hazard statements	H226-H290-H302-H315-H319-H335-H351
Precautionary statements	P202-P210-P301+P312-P303+P361+P353-P305+P351+P338-P308+P313
Hazard Codes	Xn,C,F
Risk Statements	R10:Flammable. R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R34:Causes burns. less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	UN 2920 8/PG 2
WGK Germany	3
RTECS	EL1325000
Hazard Note	Harmful
TSCA	Yes
HazardClass	3.2
PackingGroup	III
HS Code	29055910
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Oral Carc. 2 Eye Irrit. 2 Flam. Liq. 3 Met. Corr. 1 Skin Irrit. 2 STOT SE 3
Safety Profile	Moderately toxic by ingestion. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORIDES and ALCOHOLS. less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

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

Uses

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

Uses

Tetramethylene chlorohydrin is used inorganic synthesis.

Definition

ChEBI: A primary alcohol that is butan-1-ol substituted by a chloro group at position 4.

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.

Health Hazard

The toxicity of this compound is low. How ever, the acute toxic symptoms are those ofethylene and propylene chlorohydrins. Oralintake of this compound caused muscle con traction, gastrointestinal pain, ulceration, andliver injury in test animals.
LD50 value, oral (mice): 990 mg/kg
Tetramethylene chlorohydrin caused tumorsin lungs in test animals. Its carcinogenicity,however, is not yet fully established.

Fire Hazard

Flammable; flash point 36°C (97°F); vapor density 3.7 (air = 1); the vapor forms an explosive mixture with air, range is not reported. Fire-extinguishing agent: “alcohol” foam; a water spray may be used to cool fire-exposed containers and to flush any spill. It decomposes to HCl and tetrahydrofuran on heating.

Waste Disposal

Tetramethylene chlorohydrin is burned ina chemical incinerator equipped with anafterburner and scrubber.

Material Safety Data Sheet(MSDS)

Spectrum Detail

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