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

[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
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[4313-03-5]
2,4-Heptadienal
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

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