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| CAS No.: | 6959-48-4 |
|---|---|
| Name: | 3-Picolyl chloride hydrochloride |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6ClN.HCl |
| Molecular Weight: | 164.034 |
| Synonyms: | Pyridine,3-(chloromethyl)-, hydrochloride (8CI,9CI);(Pyridin-3-yl)methyl chloridehydrochloride;3-(Chloromethyl)pyridine hydrochloride;3-(Chloromethyl)pyridinemonohydrochloride;3-Picolyl chloride hydrochloride;3-Pyridylmethyl chloridehydrochloride; |
| EINECS: | 230-150-4 |
| Melting Point: | 137-143 °C |
| Boiling Point: | 210 °C at 760 mmHg |
| Flash Point: | 100.5 °C |
| Solubility: | >=10 g/100 mL at 19 °C in water |
| Appearance: | White to pale brown solid |
| Hazard Symbols: |
 Xn,  C,  T
|
| Risk Codes: | 22-36/37/38-45-20/21/22 |
| Safety: | 26-36-53-45 |
| Transport Information: | UN 2811 |
| PSA: | 12.89000 |
| LogP: | 2.62240 |
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| Conditions | Yield |
|---|---|
| Stage #1: 3-Methylpyridine With hydrogenchloride at 0℃; under 760.051 Torr; for 9h; Large scale; Stage #2: With chlorine at 110 - 125℃; for 8h; Temperature; Large scale; | 93.26% |
| Multi-step reaction with 4 steps 1: potassium permanganate / water / 0.5 h / 80 - 90 °C 2: sulfuric acid 3: aluminum (III) chloride; sodium tetrahydroborate / tetrahydrofuran; toluene / 0 - 5 °C 4: thionyl chloride View Scheme |
| Conditions | Yield |
|---|---|
| With thionyl chloride at 60℃; for 16h; | 86% |
| With thionyl chloride In chloroform at 0℃; Reflux; | 63.6% |
| With thionyl chloride | 26.9 mg |
| With thionyl chloride In methanol | 26.2 g |
| With thionyl chloride In dichloromethane at 0 - 60℃; for 1.25h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol / 8 h / 0 - 20 °C 2: thionyl chloride / chloroform / 0 °C / Reflux View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid 2: aluminum (III) chloride; sodium tetrahydroborate / tetrahydrofuran; toluene / 0 - 5 °C 3: thionyl chloride View Scheme |
- 6959-48-4
3-chloromethylpyridinium chloride
- 603-35-0
triphenylphosphine
- 79296-92-7
Triphenyl-3-pyridylmethylphosphonium chloride hydrochlorides
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 140℃; for 20h; | 100% |
- 6959-48-4
3-chloromethylpyridinium chloride
- 71486-53-8
methyl 4-oxo-3-piperidinecarboxylate hydrochloride
- 1225498-23-6
methyl 4-oxo-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine; sodium iodide In acetonitrile at 80℃; for 1h; | 100% |
| With N-ethyl-N,N-diisopropylamine; sodium iodide In acetonitrile at 80℃; for 1h; |
- 124-41-4
sodium methylate
- 6959-48-4
3-chloromethylpyridinium chloride
- 58418-62-5
3-(methoxymethyl)pyridine
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 72h; | 99% |
| In dimethyl sulfoxide at 20℃; for 24h; | 64% |
- 287392-70-5
2-(4-but-2-ynyloxy-phenylsulfonyl)-propionic acid ethyl ester
- 6959-48-4
3-chloromethylpyridinium chloride
| Conditions | Yield |
|---|---|
| 98% |
- 141-52-6
sodium ethanolate
- 6959-48-4
3-chloromethylpyridinium chloride
- 58418-63-6
3-(ethoxymethyl)pyridine
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 20℃; | 98% |
| In dimethyl sulfoxide at 20℃; | 98% |
- 6959-48-4
3-chloromethylpyridinium chloride
| Conditions | Yield |
|---|---|
| Stage #1: (S)-1-tert-butoxycarbonyl-2-tert-butylcarboxamide-4-benzyloxycarbonyl-piperazine With cyclohexa-1,4-diene; hydrogen; palladium on activated charcoal In ethyl acetate at 23℃; for 1h; Stage #2: 3-chloromethylpyridinium chloride With triethylamine In N,N-dimethyl-formamide at 23℃; for 22h; Stage #3: With triethylsilane; trifluoroacetic acid In dichloromethane at 23℃; for 20h; Further stages.; | 97% |
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Chemistry
IUPAC:3-(chloromethyl)pyridine
CAS:6959-48-4
The Molecular formula of 3-(chloromethyl)-pyridinhydrochloride(6959-48-4):C6H7Cl2N
The Molecular Weight of 3-(chloromethyl)-pyridinhydrochloride(6959-48-4):164.03
Synonyms:3-(chloromethyl)-pyridinhydrochloride;3-chloromethyl-pyridinhydrochloride;3-pyridylmethylchloridehydrochloride;nci-c03838;3-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE;3-(CHLOROMETHYL)-PYRIDINIUM CHLORIDE;3-PICOLYL CHLORIDE HYDROCHLORIDE;3-Picolyl chloride HCl (65% in water)
EINECS:230-150-4
Melting Point:137-143oC(lit.)
Boiling Point:210oC at 760 mmHg
Flash Point:62oC
Water Solubility:>=10 g/100 mL at 19oC
Appearance:white to yellow powder
Vapour Pressure:0.285 mmHg at 25oC
Product Categories:blocks;Pyridines;Pyridine;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;Pyridinium Compounds
Mol File:6959-48-4.mol
Uses
Toxicity Data With Reference
| 1. | mmo-sat 333 µg/plate | IARCCD IARC Scientific Publications. 27 (1980),283. | ||
| 2. | mma-sat 33,300 ng/plate | ENMUDM Environmental Mutagenesis. 7 (Suppl 5)(1985),1. | ||
| 3. | mma-esc 1 mg/plate | ENMUDM Environmental Mutagenesis. 7 (Suppl 5)(1985),1. | ||
| 4. | otr-rat:emb 640 ng/plate | JJATDK JAT, Journal of Applied Toxicology. 1 (1981),190. | ||
| 5. | orl-rat LD50:316 mg/kg | NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) NIH-NCI-E-C-72-3252 . | ||
| 6. | orl-mus LD50:316 mg/kg | NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) NIH-NCI-E-C-72-3252 . |
Consensus Reports
Safety Profile
Suspected carcinogen with experimental carcinogenic data. Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
Safty informations about 3-(chloromethyl)-pyridinhydrochloride(6959-48-4):
Hazard Codes:Xn,C,T
Risk Statements:22-36/37/38-45-20/21/22
22(Harmful if swallowed)
36/37/38(Irritating to eyes, respiratory system and skin)
45(May cause cancer)
20/21/22(Harmful by inhalation, in contact with skin and if swallowed)
Safety Statements:26-36-53-45
26(In case of contact with eyes, rinse immediately with plenty of water and seek medical advice)
36(Wear suitable protective clothing)
53(Avoid exposure - obtain special instruction before use)
45(In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR:2811
WGK Germany:3
RTECS:US7000000
F:3-10
HazardClass:8
Specification
Storage:Store in a cool, dry place. Keep containers tightly closed. Store protected from moisture.
Handling:Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Do not breathe dust.