ChemicalBook > CAS DataBase List > 4-(Chloromethyl)tolunitrile
4-(Chloromethyl)tolunitrile
Application- Product Name
- 4-(Chloromethyl)tolunitrile
- CAS No.
- 874-86-2
- Chemical Name
- 4-(Chloromethyl)tolunitrile
- Synonyms
- 4-(CHLOROMETHYL)BENZONITRILE;α-Chloro-p-tolunitrile;P-CYANOBENZYL CHLORIDE;The cyano benzyl chloride;AKOS B030136;p-Cyanobenzylchlorid;Letrozole Impurity 36;4-CYANOBENZYL CHLORIDE;à-chloro-p-tolunitrile;ChloroMethyl)benzonitril
- CBNumber
- CB6733863
- Molecular Formula
- C8H6ClN
- Formula Weight
- 151.59
- MOL File
- 874-86-2.mol
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4-(Chloromethyl)tolunitrile Property
- Melting point:
- 77 °C
- Boiling point:
- 263 °C
- Density
- 1.18±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- Crystalline Powder
- color
- Off-white to pale yellow
- BRN
- 742357
- InChI
- InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
- InChIKey
- LOQLDQJTSMKBJU-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(CCl)C=C1
- CAS DataBase Reference
- 874-86-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 4-(CH2Cl)-C6H4-CN(874-86-2)
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Safety
- Hazard Codes
- T,C
- Risk Statements
- 20/21-65-36/37/38-32-23/25-34-22
- Safety Statements
- 23-36-45-36/37/39-26-24/25
- RIDADR
- 3276
- WGK Germany
- 2
- HazardClass
- 8
- PackingGroup
- III
- HS Code
- 29269090
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 726397
- Product name
- 4-(Chloromethyl)benzonitrile
- Purity
- ≥97.0%
- Packaging
- 10g
- Price
- $51.1
- Updated
- 2025/07/31
Sigma-Aldrich
- Product number
- 726397
- Product name
- 4-(Chloromethyl)benzonitrile
- Purity
- ≥97.0%
- Packaging
- 50g
- Price
- $281
- Updated
- 2025/07/31
TCI Chemical
- Product number
- C1985
- Product name
- 4-Cyanobenzyl Chloride
- Purity
- >97.0%(GC)(T)
- Packaging
- 5g
- Price
- $29
- Updated
- 2025/07/31
TCI Chemical
- Product number
- C1985
- Product name
- 4-Cyanobenzyl Chloride
- Purity
- >97.0%(GC)(T)
- Packaging
- 25g
- Price
- $94
- Updated
- 2025/07/31
TRC
- Product number
- C428165
- Product name
- 4-(Chloromethyl)benzonitrile
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
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4-(Chloromethyl)tolunitrile Chemical Properties,Usage,Production
Application
p-Cyanobenzyl chloride is a white, needle-like solid at room temperature and pressure. It belongs to the benzonitrile derivative class and can be used as an intermediate in organic and biochemical synthesis, particularly for the derivatization of drug molecules and bioactive molecules. Furthermore, p-cyanobenzyl chloride also has some applications in the preparation of fluorescent whitening agents.
Chemical Properties
White to light yellow crystal powde
Synthesis
1592-20-7
874-86-2
General procedure for the synthesis of p-cyanobenzyl chloride from 4-chloromethylstyrene: 0.4 mmol of 4-chloromethylstyrene, 2 mmol of sodium nitrite, 5 mg of metal iron(III) porphyrin catalyst, and 4.5 mL of acetonitrile solvent were added to the reaction tube. The mixture was heated to 70 °C under air atmosphere and stirred. 0.5 mL of formic acid was added slowly and dropwise over the first 0.5 hr of the start of the reaction. After the reaction lasted for 4 hours, the heating and stirring was stopped and the reaction mixture was cooled to room temperature. The solvent was removed using a rotary evaporator to obtain the crude product. The crude product was purified by column chromatography and the eluent was a solvent mixture of petroleum ether and ethyl acetate. The final target product, p-chloromethylbenzonitrile, was obtained as a white solid in 96.2% yield. The NMR data are shown below.
References
[1] Patent: CN107573259, 2018, A. Location in patent: Paragraph 0133-0137
[2] Tetrahedron Letters, 2016, vol. 57, # 24, p. 2620 - 2623
4-(Chloromethyl)tolunitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-(Chloromethyl)tolunitrile manufacturers
Hebei Chuanghai Biotechnology Co., Ltd
- Product
- 4-(Chloromethyl)tolunitrile 874-86-2
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-26
HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
- Product
- 4-(Chloromethyl)tolunitrile 874-86-2
- Price
- US $100.00-75.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 5000Ton
- Release date
- 2024-08-13
Hebei Zhuanglai Chemical Trading Co.,Ltd
- Product
- 4-Cyanobenzylchloride 874-86-2
- Price
- US $180.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20ton
- Release date
- 2024-06-03
874-86-2, 4-(Chloromethyl)tolunitrileRelated Search:
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