Basic information
- CAS
620-20-2- Standard SMILES
ClCc1cccc(Cl)c1- InChIKey
DDGRAFHHXYIQQR-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2
- Average molar mass
- 161.03 g/mol
- Monoisotopic mass
- 159.98465555
Names & identifiers
- Preferred name
- m,alpha-Dichlorotoluene
- IUPAC
- 1-chloro-3-(chloromethyl)benzene
- English name
- 3-Chlorobenzyl chloride
- Molecular formula
- C7H6Cl2
- Molecular weight
- 161.03
Names & synonyms
3-Chlorobenzyl chloride620-20-21-Chloro-3-(chloromethyl)benzenealpha,3-DichlorotolueneBenzene, 1-chloro-3-(chloromethyl)-M-CHLOROBENZYL CHLORIDEm-Chlorbenzyl chloridem,alpha-DichlorotolueneDTXSID2057786Toluene, m,alpha-dichloro-QXH4Y96Y2LEINECS 210-629-4
Show more names
MCBCAKOS BBS-00004024A,M-DICHLOROTOLUENE3,α-dichlorotolueneà,3-dichlorotoluenem,a-Dichlorotoluenem,α-Dichlorotoluene3-Chlorobenzyl chlor
NSC 76577NSC-76577DTXCID30315751-Chloro-3-(chloromethyl)-benzeneRefChem:800323Toluene, m,alpha-dichloro-(8CI)210-629-43-Chlorobenzylchloride
Database identifiers
- CAS
620-20-2- PubChem CID
- 12103
- DTXSID
DTXSID2057786- ChEMBL
CHEMBL3561692- UNII
- QXH4Y96Y2L
- EC Number
- 210-629-4
- Nikkaji
- J7.047E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 3.27 °C · 3.27°C (estimate)
- Boiling point
- 215 · 215-216 °C (lit.)
- Density
- 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.555(lit.)
- Flash point
- 210 °F · 210 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Sensitive
- Lachrymatory
- BRN
- 742266 · 742266
- InChI
- InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
- InChIKey
- DDGRAFHHXYIQQR-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=CC(CCl)=C1
- CAS DataBase Reference
- 620 · 620-20-2(CAS DataBase Reference)
- FDA UNII
- 4 Y96Y2L · QXH4Y96Y2L
- NIST Chemistry Reference
- 1 · Benzene, 1-chloro-3-(chloromethyl)-(620-20-2)
- EPA Substance Registry System
- 1 · Benzene, 1-chloro-3-(chloromethyl)- (620-20-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,N,Xn
- Risk Statements
- 34 · 34-51/53-43-36-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45-61-14C
- RIDADR
- 2235 · UN 2235 6.1/PG 3
- WGK Germany
- 3 · 3
- F
- 19 · 19
- Hazard Note
- Corrosive/Lachrymatory
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 1 B · Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (1 of 71) of reports.
Danger
H302 (25.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzene, 1-chloro-3-(chloromethyl)-
Hazard Classes and CategoriesAcute Tox. 4 (25.4%)
Safety data
- F
- 19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2235 6.1/PG 3
- hs_code
- 29039990
- risk_code
- 34-51/53-43-36-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,N,Xn
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-45-61-14C
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-3-(chloromethyl)-: ACTIVE
Applications
Uses3-Chlorobenzyl chloride has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.
Upstream & downstream products
Downstream products
Suppliers100 total
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Related reactions
115 records
Compound notes
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