CAS 39718-32-6|1,4-Difluoro-2-isocyanatobenzene|1,4-difluoro-2-isocyanatobenzene|2,5-Difluorophenyl isocyanate 97%|1,4-difluoro-2-isocyanatobenzene|2,5-二氟异氰酸苯酯|2,5-二氟苯基异氰酸酯|2,5-Difluo...

InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

SNHIIFOXCRYGGY-UHFFFAOYSA-N

N(=C=O)c1c(ccc(c1)F)F

H Acceptors

H Donor

LogD (pH = 5.5)

2.1682053

LogD (pH = 7.4)

2.1682053

Log P

2.1682053

Molar Refractivity

35.5628

Polarizability

12.203537

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

1,4-Difluoro-2-isocyanatobenzene2,5-Difluorophenyl isocyanate 97%2,5-二氟异氰酸苯酯2,5-二氟苯基异氰酸酯2,5-Difluorophenyl isocyanate

IUPAC Traditional name

1,4-difluoro-2-isocyanatobenzene

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

Moisture Sensitive

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

20/21/22-36/37/38

98%

F2C6H3NCO

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374903

Packaging
1 g in ampule
Application
Used in the preparation of a potential antiatherosclerotic agent.1

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

1,4-Difluoro-2-isocyanatobenzene2,5-Difluorophenyl isocyanate 97%2,5-二氟异氰酸苯酯2,5-二氟苯基异氰酸酯2,5-Difluorophenyl isocyanate

IUPAC Traditional name

1,4-difluoro-2-isocyanatobenzene

IUPAC name

1,4-difluoro-2-isocyanatobenzene

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Molecule Details

374903

Packaging
1 g in ampule
Application
Used in the preparation of a potential antiatherosclerotic agent.1

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

23/25-36/37/38-42

European Hazard Symbols

Harmful (Xn)

Toxic (T)

Packing Group

German water hazard class

RID/ADR

UN 3080 6.1/PG 2

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

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

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

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

GHS Signal Word

Warning

GHS Hazard statements

H226-H302-H312-H315-H319-H332-H335

H300-H330-H315-H319-H335-H334-H226

Safety Statements

23-26-45

23-26-36/37/39-45

MSDS Link

Download link

GHS Precautionary statements

P261-P280-P305+P351+P338

P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A

UN Number

3080

UN3080

Hazard Class

6.1

TSCA Listed

否

Personal Protective Equipment

Molecule

ID:95087