3,5-Dimethoxybenzoyl chloride - CAS 17213-57-9

Name: 3,5-Dimethoxybenzoyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3,5-dimethoxybenzoyl chloride
Description:	3,5-Dimethoxybenzoyl chloride (CAS# 17213-57-9) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	COC1=CC(=CC(=C1)C(=O)Cl)OC
InChI:	InChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChI Key:	FTHPLWDYWAKYCY-UHFFFAOYSA-N
Boiling Point:	157-158 °C16 mmHg (lit.)
Melting Point:	43-46 °C (lit.)
Flash Point:	>230 °F
Purity:	> 98.0 % (GC) (T)
Density:	1.2799 (rou gh estimate)
Appearance:	White to light yellow powder to lump
MDL:	MFCD00000676
LogP:	2.08280
Refractive Index:	1.5230 (estimate)

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113248351-A	Preparation method of 6-chloro-2-methoxytoluene and synthetic process of methoxyfenozide	20210526
CN-112939738-A	Preparation method of 3, 5-dihydroxypentylbenzene	20210129
CN-112358487-A	Lappaconitine derivative and preparation method and application thereof	20201116
WO-2021081881-A1	Functional carbohydrate molecule based on tdg molecular scaffold, and preparation method therefor	20191031
WO-2021046034-A1	Small molecule liver x receptor modulators and uses thereof	20190905

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0240218
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.0240218
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2