Methyl phthaloyl chloride - CAS 4397-55-1

Name: Methyl phthaloyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025508
Product Name:	Methyl phthaloyl chloride
CAS:	4397-55-1
Synonyms:	methyl 2-carbonochloridoylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-carbonochloridoylbenzoate
Description:	Methyl phthaloyl chloride (CAS# 4397-55-1 ) is a useful research chemical.
Molecular Weight:	198.60
Molecular Formula:	C9H7ClO3
Canonical SMILES:	COC(=O)C1=CC=CC=C1C(=O)Cl
InChI:	InChI=1S/C9H7ClO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3
InChI Key:	GNBWUEAMCSHHMO-UHFFFAOYSA-N
Boiling Point:	297.3 °C at 760 mmHg
Density:	1.291 g/cm³
Appearance:	Liquid
MDL:	MFCD11656039
LogP:	1.85220

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P313, P362+P364, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
CN-109928967-B	Cyclized berberine derivative and preparation method and application thereof	20171128
TW-201903498-A	Method for producing liquid crystal element and liquid crystal alignment agent	20170531
US-10577346-B2	Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof	20161117

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0083718
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.0083718
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1