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(4-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride

HCID 3720102
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
524046-23-9
Standard SMILES
O=S(=O)(Cl)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIKey
ULTGKXKNKRJOHG-UHFFFAOYSA-N
Molecular formula
C13H8ClF3O2S
Average molar mass
320.71 g/mol
Monoisotopic mass
319.9885628

Names & identifiers

Preferred name
(4-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride
IUPAC
4-[4-(trifluoromethyl)phenyl]benzenesulfonyl chloride
English name
(4-[4-(Trifluoromethyl)phenyl]phenyl)sulfonylchloride
Molecular formula
C13H8ClF3O2S
Molecular weight
320.71

Names & synonyms

524046-23-9(4-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride4-[4-(trifluoromethyl)phenyl]benzenesulfonyl Chloride4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-sulfonyl chlorideMFCD016319234'-(Trifluoromethyl)-[1,1'-biphenyl]-4-sulfonylchloride4'-(trifluoromethyl)[1,1'-biphenyl]-4-sulfonyl chloride4'-(Trifluoromethyl)biphenyl-4-sulfonyl chlorideSCHEMBL3071920DTXSID30395491AR2099AKOS016014990
Show more names
4'-TRIFLUOROMETHYL-BIPHENYL-4-SULFONYL CHLORIDE4-(4-trifluoromethylpehnyl)phenylsulfonyl chloride[1,1'-Biphenyl]-4-sulfonyl chloride, 4'-(trifluoromethyl)-
AS-45271CS-0170938F306172(4-[4-(Trifluoromethyl)phenyl]phenyl)sulfonyl chloride

Database identifiers

CAS
524046-23-9

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
414

Physicochemical properties

Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
302 · H302-H314
Precautionary statements
280 · P280-P305+P351+P338-P310

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

Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H302-H314
Precautionary statements
P280-P305+P351+P338-P310

Chemistry & industry

Suppliers9 total

上海相辉医药科技有限公司13761987713 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
凯试(上海)科技有限公司021-50135380 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
重庆卡兰医药有限公司[email protected]
上海松帆医药科技有限公司17321241880 · [email protected]

Related reactions

3 records
New reaction record
HRID 719387 reaction equation
HRID 719387As reactantuspto-grants-2006_11
HRID 719388 reaction equation
HRID 719388As reactantuspto-grants-2006_11
HRID 2328880 reaction equation
HRID 2328880As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
3720102
DTXSID
DTXSID30395491