3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
- Product Name
- 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
- CAS No.
- 916766-83-1
- Chemical Name
- 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
- Synonyms
- 3-(4-(Chloromethyl);4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride;3-[4-(chloromethyl)phenyl]-1-methylpyrazole;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride 97%;3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole;1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl-;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole97%;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole 97%
- CBNumber
- CB4854634
- Molecular Formula
- C11H11ClN2
- Formula Weight
- 206.67
- MOL File
- 916766-83-1.mol
3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Property
- Melting point:
- 78 °C
- Boiling point:
- 343.3±30.0 °C(Predicted)
- Density
- 1.17±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder
- pka
- 1.53±0.10(Predicted)
- color
- White
- Sensitive
- Lachrymatory
- InChI
- InChI=1S/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
- InChIKey
- YLJMPTWMRVXTQQ-UHFFFAOYSA-N
- SMILES
- N1(C)C=CC(C2=CC=C(CCl)C=C2)=N1
Safety
- Hazard Codes
- C
- Hazard Note
- Corrosive/Lachrymatory
- HS Code
- 2933199090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H314Causes severe skin burns and eye damage
H318Causes serious eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P310Immediately call a POISON CENTER or doctor/physician.
N-Bromosuccinimide Price
- Product number
- C598265
- Product name
- 3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole
- Packaging
- 100mg
- Price
- $220
- Updated
- 2021/12/16
- Product number
- 3H32-5-H4
- Product name
- 4-(1-Methyl-1H-pyrazol-3-yl)benzylchloride
- Purity
- 97.0%
- Packaging
- 1g
- Price
- $88
- Updated
- 2021/12/16
- Product number
- 3H32-5-H4
- Product name
- 4-(1-Methyl-1H-pyrazol-3-yl)benzylchloride
- Purity
- 97.0%
- Packaging
- 5G
- Price
- $152
- Updated
- 2021/12/16
- Product number
- Y4693
- Product name
- 3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole
- Packaging
- 1g
- Price
- $157
- Updated
- 2021/12/16
- Product number
- 3H32-5-H4
- Product name
- 4-(1-Methyl-1H-pyrazol-3-yl)benzylchloride
- Purity
- 97.0%
- Packaging
- 10g
- Price
- $228
- Updated
- 2021/12/16
3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Chemical Properties,Usage,Production
Synthesis
179055-20-0
916766-83-1
(C) Synthesis of 3-(4-(chloromethyl)phenyl)-1-methyl-1H-pyrazole: [4-(1-methyl-1H-pyrazol-3-yl)phenyl]methanol (1.00 g) was dissolved in THF (15.0 mL), and thionyl chloride (0.58 mL) was added slowly and dropwise under cooling in an ice bath. The reaction mixture was stirred at 17 °C for 16 hours. After the reaction was completed, it was diluted with water and ethyl acetate and neutralized by adding saturated aqueous sodium bicarbonate. The organic layer was separated, washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure and the residue was purified by silica gel column chromatography (eluent: ethyl acetate/hexane) to afford the target product 3-(4-(chloromethyl)phenyl)-1-methyl-1H-pyrazole (0.65 g). NMR (300 MHz, CDCl3) δ 3.95 (3H, s), 4.61 (2H, s), 6.49-6.57 (1H, m). 7.33-7.44 (3H, m), 7.74-7.82 (2H, m).
References
[1] Journal of Medicinal Chemistry, 2018, vol. 61, # 7, p. 2875 - 2894
[2] Patent: WO2015/163485, 2015, A1. Location in patent: Paragraph 0427
3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole manufacturers
- Product
- 3-[4-(chloromethyl)phenyl]-1-methylpyrazole 916766-83-1
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 1ton
- Release date
- 2020-01-10