ChemicalBook >> CAS DataBase List >>Pentafluorophenyl isocyanate 97

Pentafluorophenyl isocyanate 97

CAS No.
1591-95-3
Chemical Name:
Pentafluorophenyl isocyanate 97
Synonyms
perfluorophenyl isocyanate;Pentafluoroisocyanatobenzene;Isocyanate, pentafluorophenyl-;Pentafluorophenyl isocyanate 97%;Pentafluorophenyl isocyanate 97;2,3,4,5,6-PentafluoroPhenyl isocyanate;Isocyanic Acid Pentafluorophenyl Ester;1,2,3,4,5-pentafluoro-6-isocyanatobenzene;Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-
CBNumber:
CB7500084
Molecular Formula:
C7F5NO
Molecular Weight:
209.07
MDL Number:
MFCD01863699
MOL File:
1591-95-3.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-09-12 18:54:59

Pentafluorophenyl isocyanate 97 Properties

Melting point 36 °C
Boiling point 52 °C/2 mmHg (lit.)
Density 1.6 g/mL at 25 °C (lit.)
refractive index n20/D 1.449(lit.)
Flash point >230 °F
storage temp. 2-8°C
InChI 1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChIKey QXLDBWRLZDBVGF-UHFFFAOYSA-N
SMILES Fc1c(F)c(F)c(N=C=O)c(F)c1F
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Danger
Hazard statements  H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements  P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  23-26-36
RIDADR  UN 2206 6.1/PG 3
WGK Germany  3
HazardClass  6.1
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Pentafluorophenyl isocyanate 97 price More Price(20)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 512079 Pentafluorophenyl isocyanate 97% 1591-95-3 5ml $754 2026-04-30 Buy
TCI Chemical P2196 Pentafluorophenyl Isocyanate 1591-95-3 1G $131 2021-12-16 Buy
TCI Chemical P2196 Pentafluorophenyl Isocyanate 1591-95-3 5G $392 2021-12-16 Buy
Usbiological 286563 Pentafluorophenyl Isocyanate ≥97% 1591-95-3 1g $465 2026-06-03 Buy
Usbiological 286563 Pentafluorophenyl Isocyanate ≥97% 1591-95-3 5g $909 2026-06-03 Buy
Product number Packaging Price Buy
512079 5ml $754 Buy
P2196 1G $131 Buy
P2196 5G $392 Buy
286563 1g $465 Buy
286563 5g $909 Buy

Pentafluorophenyl isocyanate 97 Chemical Properties, Uses, Production

Uses

Pentafluorophenyl Isocyanate is used as a reactant in the inhibition of carbonic anhydrase IX and antimetastatic activity in breast cancer metastasis of ureidobenzenesulfonamides.

General Description

Pentafluorophenyl isocyanate (PFPI), an aryl isocyanate, is an N-protecting reagent. The photoinduced intermolecular carbamoylation of tertiary ethereal C-H bond of fused bicyclic system using PFPI/benzophenone has been reported. Reacting wood polymers with PFPI can make them resistant to fungal attack by forming a stable carbamate bond.

Pentafluorophenyl isocyanate 97 Preparation Products And Raw materials

Raw materials

Preparation Products

Global Suppliers ( 39)
Supplier Tel Email Country ProdList Advantage
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Beijing Ouhe Technology Co., Ltd 13552068683 13522913783 2355560935@qq.com China 11777 60
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Syntechem Co.,Ltd info@syntechem.com China 12973 57
Hunan Hui Bai Shi Biotechnology Co., Ltd. 0731-85526065 13308475853 ivy@hnhbsj.com China 7236 62
Hangzhou Sage Chemical Co., Ltd. +86057186818502 13588463833 info@sagechem.com China 10265 58
TOKYO CHEMICAL INDUSTRY CO., LTD. 03-36680489 Sales-JP@TCIchemicals.com Japan 28364 80
Sigma-Aldrich 021-61415566 800-8193336 orderCN@merckgroup.com China 51389 80
Amadis Chemical Company Limited 571-89925085 sales@amadischem.com China 131885 58
Capot Chemical Co.,Ltd. +86-(0)57185586718 +86-13336195806 sales@capot.com China 29626 60
Isocyanate, pentafluorophenyl- perfluorophenyl isocyanate 1,2,3,4,5-pentafluoro-6-isocyanatobenzene Pentafluorophenyl isocyanate 97% 2,3,4,5,6-PentafluoroPhenyl isocyanate Pentafluoroisocyanatobenzene Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato- Isocyanic Acid Pentafluorophenyl Ester Pentafluorophenyl isocyanate 97 1591-95-3 C6F5NCO C7F5NO Isocyanates Nitrogen Compounds Organic Building Blocks