Basic information
- 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
Show more names
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
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
- YZIFVWOCPGPNHB-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=C(CCl)C=C1Cl
- CAS DataBase Reference
- 102 · 102-47-6(CAS DataBase Reference)
- FDA UNII
- 451 PB8SMIE · 451PB8SMIE
- NIST Chemistry Reference
- 1 · Benzene, 1,2-dichloro-4-(chloromethyl)-(102-47-6)
- EPA Substance Registry System
- 1 · Benzene, 1,2-dichloro-4-(chloromethyl)- (102-47-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H411-H290
- Precautionary statements
- 501 · P501-P273-P234-P264-P280-P390-P391-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- F
- 19 · 19
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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.
Regulatory 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.
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
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314-H411-H290
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P501-P273-P234-P264-P280-P390-P391-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Uses & manufacturing
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
Suppliers50 total
Related reactions
Linked notes
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