Benzene-1,3-disulfonyl chloride - CAS 585-47-7

Catalog:	BB030078
Product Name:	Benzene-1,3-disulfonyl chloride
CAS:	585-47-7
Synonyms:	benzene-1,3-disulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	benzene-1,3-disulfonyl chloride
Description:	Benzene-1,3-disulfonyl chloride (CAS# 585-47-7) is a compound useful in organic synthesis.
Molecular Weight:	275.13
Molecular Formula:	C6H4Cl2O4S2
Canonical SMILES:	C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChI Key:	ALIQZUMMPOYCIS-UHFFFAOYSA-N
Boiling Point:	145 °C / 1 mmHg
Melting Point:	62 °C
Purity:	> 98.0 % (T) (HPLC)
Density:	1.69 g/cm³
Appearance:	Light brown solid
Storage:	0-10 °C
MDL:	MFCD00041879
LogP:	3.70320

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Related Functional Groups

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P280, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P333+P313, P342+P311, P363, P405, and P501
Signal Word:	Danger

Complexity:	351
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.8928063
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.8928063
Rotatable Bond Count:	2
Topological Polar Surface Area:	85 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4