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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777038Generated: October 23, 2026

4-(Dichloromethyl)benzonitrile

Letrozole Impurity 38 · Tranexamic Impurity 3 · P-CYANOBENZAL CHLORIDE · Tranexamic Acid Impurity 11 · p-(Dichloromethyl)benzonitrile · 4-(Dichloromethyl)benzonitrile · Benzonitrile, 4-(dichloromethyl)- · p-cyano-1-(dichloromethyl)benzene

https://huagongshe.com/en/chemical/2777038

4-(Dichloromethyl)benzonitrile molecular structure

Identifiers & Physical Properties

CAS No.74231-65-5
Molecular formulaC8H5Cl2N
Average molar mass186.03 g/mol
Monoisotopic mass184.97990452 g/mol
SMILESN#Cc1ccc(C(Cl)Cl)cc1
InChIKeyNMXMVMJWZDVFMH-UHFFFAOYSA-N
PubChem CID2777038
EC No.112-407-1
DTXSIDDTXSID90380343

Chemical & Physical Properties

XLogP2.8
Topological polar surface area23.8
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity162
Boiling point293.3±30.0 °C(Predicted)
Density1.32±0.1 g/cm3(Predicted)
Storage conditionsSealed in dry,Room Temperature
Physical statecrystals
ColorWhite
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H312-H332
GHS precautionary statementsP280
Customs code2926907090

Safety & Regulations

GHS classificationDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Customs code2926907090
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302-H312-H332
GHS precautionary statementsP280

Applications & Uses

Uses

4-(Dichloromethyl)benzonitrile is commonly used as an intermediate in the production of various pharmaceuticals, agrochemicals, and dyes.