1-(1,1-Dimethylethyl)-4-fluorobenzene

HCID 136540
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Basic information

CAS
701-30-4
Standard SMILES
CC(C)(C)c1ccc(F)cc1
InChIKey
ISXPXFQBHNIYCU-UHFFFAOYSA-N
Molecular formula
C10H13F
Average molar mass
152.21 g/mol
Monoisotopic mass
152.10012864

Names & identifiers

Preferred name
1-(1,1-Dimethylethyl)-4-fluorobenzene
IUPAC
1-tert-butyl-4-fluorobenzene
English name
1-tert-Butyl-4-fluorobenzene
Molecular formula
C10H13F
Molecular weight
152.21

Names & synonyms

701-30-44-tert-ButylfluorobenzeneDTXSID50220372RefChem:1053693DTXCID501428631-(1,1-dimethylethyl)-4-fluorobenzene1-tert-butyl-4-fluorobenzene1-(tert-Butyl)-4-fluorobenzeneMFCD151435854-t-Butylfluorobenzene1-tert-butyl-4-fluoro-benzeneBenzene, 1-(1,1-dimethylethyl)-4-fluoro-
Show more names
4-Butylfluorobenzenep-t-butylfluorobenzene1-Fluoro-4-t-butylbenzene4-t-Butyl-1-fluorobenzeneSCHEMBL705441-tert-Butyl 4-fluorobenzeneSCHEMBL8727551SCHEMBL8804403

Database identifiers

CAS
701-30-4
PubChem CID
136540
DTXSID
DTXSID50220372
Nikkaji
J2.286.949C

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
58 · 58-60 °C(Press: 14 Torr)
Density
0.949 · 0.949±0.06 g/cm3(Predicted)
storage temp.
Room temperature.
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers12 total

郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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