3,4-Dichlorobenzyl chloride
Basic information
- CAS
102-47-6- Standard SMILES
ClCc1ccc(Cl)c(Cl)c1- InChIKey
YZIFVWOCPGPNHB-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3
- Average molar mass
- 195.5 g/mol
- Monoisotopic mass
- 193.945683
Names & identifiers
- Preferred name
- 3,4-Dichlorobenzyl chloride
- IUPAC
- 1,2-dichloro-4-(chloromethyl)benzene
- English name
- 1,2-Dichloro-4-(chloromethyl)benzene
- Molecular formula
- C7H5Cl3
- Molecular weight
- 195.47
Names & synonyms
3,4-Dichlorobenzyl chloride102-47-61,2-DICHLORO-4-(CHLOROMETHYL)BENZENEBenzene, 1,2-dichloro-4-(chloromethyl)-alpha,3,4-Trichlorotoluene.alpha.,3,4-Trichlorotoluene3,4-Dichlorophenylmethyl chlorideToluene, .alpha.,3,4-trichloro-UNII-451PB8SMIE451PB8SMIEEINECS 203-033-03,4-dichloro-1-(chloromethyl)benzene
Show more names
3,4-DCBCAKOS BBS-000039553,4-Dichlorobenzyl3，4，Α-Trichlorotolue3,4-Dichlorobenzyl CA,3,4-TRICHLOROTOLUENE3，4，α-Trichlorotolueneà,3,4-trichlorotolueneClofazimine Impurity 10
NSC 406893NSC-406893AI3-14887DTXSID9059252Toluene, alpha,3,4-trichloro-3,4,.ALPHA.-TRICHLOROTOLUENEBenzene, 3,4-dichloro-1-chloromethyl4-CHLOROMETHYL-1,2-DICHLOROBENZENE
Database identifiers
- CAS
102-47-6- PubChem CID
- 7609
- DTXSID
DTXSID9059252- UNII
- 451PB8SMIE
- EC Number
- 203-033-0
- Nikkaji
- J91.328F
Properties
Computed structural properties
- XLogP
- 4
- 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 PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- -3 °C · -3 °C
- Boiling point
- 122 · 122-124 °C14 mm Hg(lit.)
- Density
- 1.411 g/mL · 1.411 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.577(lit.)
- Flash point
- 155 °C · 155 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform, Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 1.409 · 1.409
- color
- Clear colorless to very slightly yellow
- BRN
- 386644 · 386644
- InChI
- InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/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
H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-
Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (94.1%)
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
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- C
- hazard_note
- Corrosive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2-dichloro-4-(chloromethyl)-: ACTIVE
Applications
Uses3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole
Upstream & downstream products
Downstream products
Related reactions
174 records
Compound notes
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