2,4-Dichlorobenzyl chloride
Basic information
- CAS
94-99-5- Standard SMILES
ClCc1ccc(Cl)cc1Cl- InChIKey
IRSVDHPYXFLLDS-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3
- Average molar mass
- 195.5 g/mol
- Monoisotopic mass
- 193.945683
Names & identifiers
- Preferred name
- 2,4-Dichlorobenzyl chloride
- IUPAC
- 2,4-dichloro-1-(chloromethyl)benzene
- English name
- 2,4-Dichlorobenzyl chloride
- Molecular formula
- C7H5Cl3
- Molecular weight
- 195.47
Names & synonyms
2,4-Dichlorobenzyl chloride94-99-52,4-Dichloro-1-(chloromethyl)benzenealpha,2,4-TrichlorotolueneBenzene, 2,4-dichloro-1-(chloromethyl)-alpha2,4-TrichlorotolueneDTXSID9045005UNII-85E96P2S3S.alpha.,2,4-TrichlorotolueneToluene, alpha2,4-trichloro-Toluene, .alpha.2,4-trichloro-85E96P2S3S
Show more names
2,4-DCBC2,4-dichlorobenzyl2,4-Dichlorbenzylchlorid2,4-dichloro-1-chloromethyl-benzeneAKOS BBS-000040512,4-Dichlorobenzyl cOxiconazole USP RC E-2,4-Trichlorotoluene
EINECS 202-381-0NSC 406892NSC-4068921-CHLOROMETHYL-2,4-DICHLOROBENZENEAI3-14886DTXCID70250052,4,.ALPHA.-TRICHLOROTOLUENETOLUENE, .ALPHA.,2,4-TRICHLORO-
Database identifiers
- CAS
94-99-5- PubChem CID
- 7212
- DTXSID
DTXSID9045005- ChEMBL
CHEMBL3183024- UNII
- 85E96P2S3S
- EC Number
- 202-381-0
- Nikkaji
- J91.326J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP3.82
Physicochemical properties
- Melting point
- -2.6 °C · -2.6 °C (lit.)
- Boiling point
- 248 °C · 248 °C (lit.)
- Density
- 1.407 g/mL · 1.407 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.576(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oily Liquid
- color
- Clear colorless to very light yellow
- BRN
- 387220 · 387220
- InChI
- InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (54.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 2,4-dichloro-1-(chloromethyl)-
REACH registered substance: α,2,4-trichlorotoluene (EC: 202-381-0)
Hazard Classes and CategoriesAcute Tox. 4 (54.2%)
Safety data
- F
- 19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29036990
- risk_code
- 34-37-50/53-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,N
- hazard_note
- Corrosive
- safety_code
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2,4-dichloro-1-(chloromethyl)-: ACTIVE
Applications
Uses2,4-Dichlorobenzyl chloride was used as starting reagent for the synthesis of series of novel 1,2,4-triazolium derivatives.
Uses2,4-Dichlorobenzyl chloride is a reagent used in the addition of dichlorobenzene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
207 records
Compound notes
Loading…