2,4-Dichloro-5-chlorosulfonyl-benzoic acid - CAS 3740-18-9

Catalog:	BB050482
Product Name:	2,4-Dichloro-5-chlorosulfonyl-benzoic acid
CAS:	3740-18-9
Synonyms:	2,4-Dichloro-5-(chlorosulfonyl)benzoic acid; 2,4-Dichloro-5-(chlorosulphonyl)benzoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,4-dichloro-5-chlorosulfonylbenzoic acid
Description:	2,4-Dichloro-5-chlorosulfonyl-benzoic acid (CAS# 3740-18-9 ) is a useful research chemical.
Molecular Weight:	289.5
Molecular Formula:	C7H3Cl3O4S
Canonical SMILES:	C1=C(C(=CC(=C1S(=O)(=O)Cl)Cl)Cl)C(=O)O
InChI:	InChI=1S/C7H3Cl3O4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:	MPUNAIYDVXJQBJ-UHFFFAOYSA-N
Boiling Point:	430.5 °C at 760 mmHg
Purity:	95 %
Density:	1.781 g/cm³
Appearance:	White solid

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
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]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Sulfur Compounds

[6633-90-5]
1,4-Butanedithiol diacetate
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[1778-09-2]
4'-(Methylthio)acetophenone
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[21124-33-4]
Ammonium diethyldithiocarbamate

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	350
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.881763
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	287.881763
Rotatable Bond Count:	2
Topological Polar Surface Area:	79.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7