CAS 16588-74-2|3,5-Bis(trifluoromethyl)phenyl isocyanate 97%|1-isocyanato-3,5-bis(trifluoromethyl)benzene|1-isocyanato-3,5-bis(trifluoromethyl)benzene|3,5-双(三氟甲基)苯基异氰酸酯|3,5-Bis(trifluorom...

InChI=1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

NRSSOFNMWSJECS-UHFFFAOYSA-N

O=C=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

FC(c1cc(cc(c1)C(F)(F)F)N=C=O)(F)F

H Acceptors

H Donor

LogD (pH = 5.5)

3.6384983

LogD (pH = 7.4)

3.6384983

Log P

3.6384983

Molar Refractivity

47.0774

Polarizability

15.697

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

3,5-Bis(trifluoromethyl)phenyl isocyanate 97%3,5-双(三氟甲基)苯基异氰酸酯3,5-Bis(trifluoromethyl)phenyl isocyanate3,5-二(三氟甲基)苯基异氰酸酯

IUPAC Traditional name

1-isocyanato-3,5-bis(trifluoromethyl)benzene

Harmful/Irritant/Lachrymatory/Moisture Sensitive/Store under Argon/Keep Cold

Moisture Sensitive

Harmful (Xn)

(CF3)2C6H3NCO

98%

Click here to submit data

374857

Packaging
1, 5 g in glass bottle

Click here to submit data

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

3,5-Bis(trifluoromethyl)phenyl isocyanate 97%3,5-双(三氟甲基)苯基异氰酸酯3,5-Bis(trifluoromethyl)phenyl isocyanate3,5-二(三氟甲基)苯基异氰酸酯

IUPAC Traditional name

1-isocyanato-3,5-bis(trifluoromethyl)benzene

IUPAC name

1-isocyanato-3,5-bis(trifluoromethyl)benzene

Registration numbers

CAS Number

MDL Number

Beilstein Number

PubChem SID

PubChem CID

Molecule Details

374857

Packaging
1, 5 g in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

MSDS Link

Download link

Safety Statements

23-26-27-28-36/37/39

23-26-36/37-45

Risk Statements

20/21/22-36/37/38

20/22-36/37/38-42

UN Number

2206

UN2206

Packing Group

III

GHS Precautionary statements

P261-P280-P305+P351+P338

P260-P280H-P305+P351+P338-P309-P310

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Class

6.1

GHS Signal Word

Warning

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

GHS Hazard statements

H302-H312-H315-H319-H332-H335

H331-H302-H315-H319-H335-H334-H227

RID/ADR

UN 2206 6.1/PG 3

TSCA Listed

否

European Hazard Symbols

Molecule

ID:95256