2-Chloro-6-iodo-4-(trifluoromethyl)aniline

HCID 56587696CAS 1065102-88-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1c(Cl)cc(C(F)(F)F)cc1I
InChIKey
GCTGNIQJWWFHGZ-UHFFFAOYSA-N
Molecular formula
C7H4ClF3IN
Average molar mass
321.46 g/mol
Monoisotopic mass
320.90290947

Names & identifiers

Preferred name
2-Chloro-6-iodo-4-(trifluoromethyl)aniline
IUPAC
2-chloro-6-iodo-4-(trifluoromethyl)aniline
English name
2-Chloro-6-iodo-4-(trifluoromethyl)aniline
Molecular formula
C7H4ClF3IN
Molecular weight
321.47

Names & synonyms

2-chloro-6-iodo-4-(trifluoromethyl)aniline1065102-88-6MFCD204926122-chloro-6-iodo-4-(trifluoromethyl)benzenamine2-Chloro-6-iodo-4-trifluoromethyl-phenylamineSCHEMBL978300SCHEMBL30777281DTXSID801249936AKOS007930060SY2833222-Chloro-6-iodo-4-trifluoromethyl-anilineDB-112004
Show more names
CS-0440239H59750F765587Benzenamine, 2-chloro-6-iodo-4-(trifluoromethyl)-

Database identifiers

CAS
1065102-88-6
PubChem CID
56587696
DTXSID
DTXSID801249936

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Boiling point
256.8 · 256.8±40.0 °C(Predicted)
Density
2.018 · 2.018±0.06 g/cm3(Predicted)
pka
-1.24 · -1.24±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers9 total

安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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