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2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl

HCID 2736149
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
89803-70-3
Standard SMILES
FC(F)(F)c1cc(I)ccc1-c1ccc(I)cc1C(F)(F)F
InChIKey
OQUYDTUCILYGGP-UHFFFAOYSA-N
Molecular formula
C14H6F6I2
Average molar mass
542 g/mol
Monoisotopic mass
541.84631

Names & identifiers

Preferred name
2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl
IUPAC
4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
English name
2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl
Molecular formula
C14H6F6I2
Molecular weight
542

Names & synonyms

89803-70-32,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl4,4'-Diiodo-2,2'-bis(trifluoromethyl)-1,1'-biphenyl2,2'-Di(Trifluoromethyl)-4,4'-diiodobiphenyl4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene1,1'-Biphenyl,4,4'-diiodo-2,2'-bis(trifluoromethyl)-MFCD00236673C14H6F6I2orb3214502SCHEMBL3534403DTXSID20371163AKOS005216288
Show more names
2,2'-DI(TRIFLUOROMETHYL)-4,4'-DIIODOBIPHENY4,4'-diiodo-2,2'-bis(trifluoromethyl)biphenyl2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl98%2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl 98%2,2′-Bis(trifluoromethyl)-4,4′-diiodobiphenyl, CAS 89803-70-3
DB-019607CS-0182945F75621F624401

Database identifiers

CAS

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
345

Physicochemical properties

Boiling point
396.7 · 396.7±42.0 °C(Predicted)
Density
2.038 · 2.038±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
Hazard Note
Harmful
HazardClass
IRRITANT
HS Code
2902900000 · 2902900000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2902900000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Harmful
safety_code
26-36
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Suppliers20 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
郑州阿尔法化工有限公司13333829863 13333829863 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
南京凯木可科技有限公司15077877613 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]

Related reactions

2 records
New reaction record
HRID 1249024 reaction equation
HRID 1249024As productuspto-grants-1986_12
HRID 1388766 reaction equation
HRID 1388766As productuspto-grants-1984_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
89803-70-3
PubChem CID
2736149
DTXSID
DTXSID20371163
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]