InChI=1/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H

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Search term: SFPQFQUXAJOWNF-UHFFFAOYAA
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Inherent Properties, Identifiers and References

ChemSpider ID:	21168837
Empirical Formula:	C₆H₄I₂
Molecular Weight:	329.9049
Nominal Mass:	330 Da
Average Mass:	329.9049 Da
Monoisotopic Mass:	329.84022 Da

Systematic Name:

1,3-diiodobenzene

SMILES:

Ic1cccc(I)c1

InChI:

InChI=1/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H

InChIKey:

SFPQFQUXAJOWNF-UHFFFAOYAA

Std. InChI:

InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H

Std. InChIKey:

SFPQFQUXAJOWNF-UHFFFAOYSA-N

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Supplemental Information

User Data

experimental physchem properties

Melting Point: 35-37

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: 285

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: >110(230F)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Specific Gravity: 2.470

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

miscellaneous

Safety: WARNING: Irritates lungs, eyes, skin

See Chemical Safety

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1,3-Diiodbenzol

1,3-Diiodobenzene

benzene, 1,3-diiodo-

210-921-1 [EINECS/ELINCS]

626-00-6 [RN]

Diiodobenzene

m-diiodobenzene

TL8004202

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/Labs Predicted Properties

ACD/LogP:	3.83	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	3.83	ACD/LogD (pH 7.4):	3.83
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	Å²
Index of Refraction:	1.707	Molar Refractivity:	52.06 cm³
Molar Volume:	133.5 cm³	Polarizability:	20.64 10^-24cm³
Surface Tension:	51.8 dyne/cm	Density:	2.469 g/cm³
Flash Point:	145.2 °C	Enthalpy of Vaporization:	50.37 kJ/mol
Boiling Point:	285.7 °C at 760 mmHg	Vapour Pressure:	0.00474 mmHg at 25°C