4-Methyloxybenzyl chloride

HCID 69993CAS 824-94-2
Substructure searchFind similar structures

Basic information

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 properties

XLogP
2.4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 6 items

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

F
10-19-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
No
ridadr
UN 3265 8/PG 3
hs_code
29093090

Chemistry & industry

Applications · 2 items

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

1,294 records
New reaction record

Linked notes

Loading…