CAS 6959-48-4|3-(chloromethyl)pyridine hydrochloride|3-(Chloromethyl)pyridine hydrochloride|3-(chloromethyl)pyridine hydrochloride|3-(Chloromethyl)pyridine hydrochloride 97%|3-Picolyl chloride hydro...

Molecular Formula

C₆H₇Cl₂N

Molecular Mass

164.03248

Exact Mass

162.99555459

InChI

InChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H

InChIKey

UZGLOGCJCWBBIV-UHFFFAOYSA-N

Canonic Smiles

ClCc1cccnc1.Cl

Isomeric Smiles

Cl.c1cncc(c1)CCl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2702651

LogD (pH = 7.4)

1.3418015

Log P

1.3428155

Molar Refractivity

33.768

Polarizability

13.08568

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

23394

IUPAC name

3-(chloromethyl)pyridine hydrochloride

Synonyms

3-(Chloromethyl)pyridine hydrochloride3-(Chloromethyl)pyridine hydrochloride 97%3-Picolyl chloride hydrochloride3-吡啶甲基氯盐酸盐3-(Chloromethyl)pyridine hydrochloride3-(氯甲基)吡啶盐酸盐3-(氯甲基)吡啶盐酸

IUPAC Traditional name

3-(chloromethyl)pyridine hydrochloride

MDL Number

MFCD00012818

CAS Number

6959-48-4

Beilstein Number

3689156

Physical Property

Melting Point

141-144°C

137-143°C

137-143 °C(lit.)

136-142°C

MSDS Link

Download link

Storage Warning

HYGROSCOPIC, CORROSIVE

Harmful/Corrosive/Irritant/Hygroscopic/Store under Argon

Hygroscopic

RTECS

US7000000

TSCA Listed

false

否

GHS Signal Word

Danger

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Risk Statements

22-34

21/22-34-40-43-68

GHS Hazard statements

H302-H314

H301-H311-H317-H314-H318-H341-H351

Safety Statements

26-36/37/39-45

24-26-36/37/39-45

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Precautionary statements

P280-P305+P351+P338-P310

P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

RID/ADR

UN 3261 8/PG 3

Packing Group

III

European Hazard Symbols

Corrosive (C)

Harmful (X)

Hazard Class

German water hazard class

UN Number

3261

UN3261

Product Information

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

P43602

Packaging
5, 25 g in glass bottle

From Data Sources

• The free base can be lithiated at the methylene group by treatment with LDA in THF at -78^o. The resulting (3-pyridinylchloromethyl)lithium can be trapped by reaction with various electrophiles at low temperatures: J. Org. Chem., 61, 4148 (1996).