Basic information
- CAS
55117-15-2- Standard SMILES
Fc1cccc(Cl)c1CCl- InChIKey
MJGOLNNLNQQIHR-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2F
- Average molar mass
- 179.02 g/mol
- Monoisotopic mass
- 177.97523374
Names & identifiers
- Preferred name
- 1-Chloro-2-(chloromethyl)-3-fluorobenzene
- IUPAC
- 1-chloro-2-(chloromethyl)-3-fluorobenzene
- English name
- 2-Chloro-6-fluorobenzyl chloride
- Molecular formula
- C7H5Cl2F
- Molecular weight
- 179.02
Names & synonyms
2-Chloro-6-fluorobenzyl chloride1-Chloro-2-(chloromethyl)-3-fluorobenzeneBenzene, 1-chloro-2-(chloromethyl)-3-fluoro-UNII-A581KL6ZPNDTXSID80388551-Chloro-2-chloromethyl-3-fluorobenzenealpha,2-Dichloro-6-fluorotolueneEINECS 259-487-5A581KL6ZPNDTXCID6018855MJGOLNNLNQQIHR-UHFFFAOYSA-EC 259-487-5
Show more names
AKOS BBS-00004004LABOTEST-BB LT02085021à,2-dichloro-6-fluorotoluene2,α-dichloro-6-fluorotoluene2-Chloro-6-Fluorochlorobenzyl2-Fluoro-6-chlorobenzyl chloride2-Chloro-6-fluorobenzylchloride97%2-Chloro-6-fluorobenzyl chloride 97%
.ALPHA.,2-DICHLORO-6-FLUOROTOLUENERefChem:75343InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2MJGOLNNLNQQIHR-UHFFFAOYSA-N55117-15-21-Chloro-2-chloromethyl-3-fluoro-benzeneMFCD000008962-chloro-6-fluorobenzylchloride
Database identifiers
- CAS
55117-15-2- PubChem CID
- 108675
- DTXSID
DTXSID8038855- ChEMBL
CHEMBL3186001- UNII
- A581KL6ZPN
- EC Number
- 259-487-5
- Nikkaji
- J208.254C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
Physical DescriptionOther Solid
Physicochemical properties
- Melting point
- 7 °C · 7 °C
- Boiling point
- 208 · 208-210 °C
- Density
- 1.401 g/mL · 1.401 g/mL at 25 °C (lit.)
- vapor pressure
- 83 Pa · 83Pa at 40℃
- refractive index
- 20 · n20/D 1.537(lit.)
- Flash point
- 200 °F · 200 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- Specific Gravity
- 1.401 · 1.401
- color
- Colorless to Almost colorless
- Sensitive
- Lachrymatory
- BRN
- 386840 · 386840
- InChI
- 1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Cease Manufacture Update: 03-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6762
Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29039990
- risk_code
- 34-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi,N
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-: ACTIVE
Applications
Uses2-Chloro-6-fluorobenzyl chloride was used:as alkylating reagent during the synthesis of 3-benzylsulfanyl derivatives of 1,2,4-triazole and 4-methyl-1,2,4-triazolein the preparataion of 2-chloro-6-fluorobenzylamine, required for the synthesis of 9-substituted adeninein the preparation of aprinocid via reaction with adenine
Upstream & downstream products
Downstream products
Related reactions
55 records
Compound notes
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