4-Methyloxybenzyl chloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
824-94-2- Standard SMILES
COc1ccc(CCl)cc1- InChIKey
MOHYOXXOKFQHDC-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 4-Methyloxybenzyl chloride
- IUPAC
- 1-(chloromethyl)-4-methoxybenzene
- English name
- 4-Methoxybenzylchloride
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
4-Methoxybenzyl chloride824-94-21-(Chloromethyl)-4-methoxybenzenep-Methoxybenzyl chloridep-Anisyl chloride4-(Chloromethyl)anisolep-(Chloromethyl)anisoleBenzene, 1-(chloromethyl)-4-methoxy-alpha-Chloro-4-methoxytolueneAnisole, p-(chloromethyl)-4-Methyloxybenzyl chlorideCCRIS 5108
Show more names
PMBClPBMCl4-Methoxybenzylchloride, stabilized, 98% 5GR
.alpha.-Chloro-4-methoxytoluene4-(chloromethyl)-1-methoxybenzeneEINECS 212-540-6NSC 172955Q500ZS03TI4-(chloromethyl)phenyl methyl etherNSC-1729551-(chloromethyl)-4-(methyloxy)benzene
Database identifiers
- CAS
824-94-2- PubChem CID
- 69993
- DTXSID
DTXSID20231718- UNII
- Q500ZS03TI
- EC Number
- 212-540-6
- Nikkaji
- J32.082J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87
Physicochemical properties
- Melting point
- 1 °C · −1 °C(lit.)
- Boiling point
- 117 · 117-118 °C14 mm Hg(lit.)
- Density
- 1.155 g/mL · 1.155 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.548(lit.)
- Flash point
- 229 °F · 229 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Clear colorless to pale yellow
- Water Solubility
- slowly decomposes
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
- InChIKey
- MOHYOXXOKFQHDC-UHFFFAOYSA-N
- SMILES
- C1(CCl)=CC=C(OC)C=C1
- CAS DataBase Reference
- 824 · 824-94-2(CAS DataBase Reference)
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 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory.；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 InformationBenzene, 1-(chloromethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
CSL Reaction Information
CSL00029
p-methoxybenzyl Chloride
PMB Chloride Explosion
Self-Reactive
Benzyl halide
L (>100g)
Regulatory information
Regulatory InformationBenzene, 1-(chloromethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
Chemistry & industry
Applications
Uses4-Methoxybenzylchloride is used in a synthesis of diarymethanes via Suzuki cross-coupling with postassium aryltrifluoroborates. It is also an O/N protecting group reagent which can be mildly oxidatively cleaved, e.g., with ceric ammonium nitrate.
General Description4-Methoxybenzyl chloride undergoes mild oxidative claevage with ceric ammonium nitrate.
Upstream & downstream products
Downstream products
Related reactions
1,294 records
Compound notes
Loading…