NAVIGATION


3-Iodotoluene

Catalog NumberACM625956

CAS Number625-95-6

CategoryLiquid Crystal (LC) Materials

3-Iodotoluene
Synonyms
3-Methyl-iodobenzene
IUPAC Name
1-iodo-3-methylbenzene
Molecular Weight
218.04
Molecular Formula
C7H7I
Canonical SMILES
CC1=CC(=CC=C1)I
InChI
InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChI Key
VLCPISYURGTGLP-UHFFFAOYSA-N
Boiling Point
80-82 ºC 10 mmHg (lit.)
Melting Point
-27 ºC
Purity
98%+
Density
1.698 g/ml
Complexity
70.8
Covalently-Bonded Unit Count
1
EC Number
210-918-5
Exact Mass
217.95925g/mol
Formal Charge
0
Hazard Statements
H302-H315-H319-H335
Heavy Atom Count
8
MeSH Entry Terms
3-iodotoluene;m-iodotoluene;meta-iodotoluene;o-iodotoluene;p-iodotoluene
Monoisotopic Mass
217.95925g/mol
NSC Number
3775
Rotatable Bond Count
0
UNII
2H574IR35G
XLogP3
3.5
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