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2-Iodotoluene

Catalog Number
ACM615372
CAS Number
615-37-2
Product Name
2-Iodotoluene
Structure
Category
Liquid Crystal (LC) Materials
Synonyms
Toluene,o-iodo-
IUPAC Name
1-iodo-2-methylbenzene
Molecular Weight
218.03
Molecular Formula
C7H7I
Canonical SMILES
CC1=CC=CC=C1I
InChI
InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI Key
RINOYHWVBUKAQE-UHFFFAOYSA-N
Boiling Point
211 °C
Melting Point
11.27 °C
Purity
99%+
Density
1.713 g/ml
Appearance
Clear yellow to orange liquid
Complexity
70.8
Covalently-Bonded Unit Count
1
EC Number
210-422-9
Exact Mass
217.95925g/mol
Formal Charge
0
Hazard Statements
H314
Heavy Atom Count
8
MeSH Entry Terms
3-iodotoluene;m-iodotoluene;meta-iodotoluene;o-iodotoluene;p-iodotoluene
Monoisotopic Mass
217.95925g/mol
NSC Number
3774
Rotatable Bond Count
0
UNII
8OK4H85T07
Vapor Pressure
0.45 mmHg
XLogP3
2.9
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