Pentafluoroaniline

HCID 13040
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Basic information

CAS
771-60-8
Standard SMILES
Nc1c(F)c(F)c(F)c(F)c1F
InChIKey
NOXLGCOSAFGMDV-UHFFFAOYSA-N
Molecular formula
C6H2F5N
Average molar mass
183.08 g/mol
Monoisotopic mass
183.01074016

Overview

structure given in first source

Names & identifiers

Preferred name
Pentafluoroaniline
IUPAC
2,3,4,5,6-pentafluoroaniline
English name
2,3,4,5,6-Pentafluoroaniline
Molecular formula
C6H2F5N
Molecular weight
183.08

Names & synonyms

2,3,4,5,6-PENTAFLUOROANILINE771-60-8PentafluoroanilinePentafluorophenylamineAminopentafluorobenzeneAniline, 2,3,4,5,6-pentafluoro-MS06IL3Y2QNSC-88320DTXSID8022119RefChem:441630DTXCID302119PFPAT pentafluorophenylammonium triflate
Show more names
PerfluoroanilinePENTAFLUORANILINE2,3,4,5,6-PentafluorPentafluorobenzenaminPentafluoroaniline>PentafluorophenylaminePentafluoroaniline 99%Pentafluoroaniline,99%pentafluronitrobenzene
212-234-22,3,4,5,6-pentafluorophenylammonium triflateBenzenamine, 2,3,4,5,6-pentafluoro-2,3,4,5,6-PentafluorobenzenamineMFCD000076432,3,4,5,6-pentafluorophenylamine1-Amino-2,3,4,5,6-pentafluorobenzene(pentafluorophenyl)amine

Database identifiers

CAS
771-60-8
PubChem CID
13040
DTXSID
DTXSID8022119
UNII
MS06IL3Y2Q
EC Number
212-234-2
Nikkaji
J1.734E

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Melting point
33 · 33-35 °C (lit.)
Boiling point
153 °C · 153 °C (lit.)
Density
1 · 1,744 g/cm3
Flash point
165 °F · 165 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
toluene: soluble

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
BY7920000
hs_code
29214210
Toxicity
LD50 ipr-rat: 390 mg/kg IZSBAI 3,91,65

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 2,3,4,5,6-pentafluoro-: INACTIVE
Applications · 2 items

Uses2,3,4,5,6-Pentafluoroaniline finds it uses in the preparation of pentafluorophenylammonium triflate, an efficient catalyst for esterification and thioesterification. It is also used in the synthesis of various titanium complexes having two anionic [N, O-] bidentate salicylaldiminato ligands.

General Description2,3,4,5,6-Pentafluoroaniline forms metal-drug complexes, cis-Pt-(2,3,4,5,6-pentafluoroaniline)2-Br2 which has been tested against the promastigote forms of Leishmania donovani.

Upstream & downstream products

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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