CAS 104-12-1|1-chloro-4-isocyanatobenzene|1-chloro-4-isocyanatobenzene|1-chloro-4-isocyanatobenzene|4-Isocyanato chlorobenzene|4-Chlorophenyl isocyanate|4-氯苯异氰酸酯|对氯苯异氰酸酯|4-Chlorophenyl ...

InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

ADAKRBAJFHTIEW-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.4868462

LogD (pH = 7.4)

2.4868462

Log P

2.4868462

Molar Refractivity

39.9348

Polarizability

14.535166

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

1-chloro-4-isocyanatobenzene

IUPAC Traditional name

1-chloro-4-isocyanatobenzene

1-chloro-4-isocyanatobenzene4-Chlorophenyl isocyanate4-氯苯异氰酸酯4-Isocyanato chlorobenzene对氯苯异氰酸酯4-Chlorophenyl isocyanate4-氯苯基异氰酸酯

Toxic/Corrosive/Lachrymatory/Moisture Sensitive

Moisture Sensitive

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

ClC6H4NCO

98%

≥97.0% (GC)

purum

Click here to submit data

152277

Packaging
5, 100, 500 g in glass bottle

• For general chemistry of isocyanates, see Appendix 3.

• Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ?-lactams in high yield: Nippon Kagaku Kaishi, 459 (1995):

Names and Identifiers

IUPAC name

1-chloro-4-isocyanatobenzene

IUPAC Traditional name

1-chloro-4-isocyanatobenzene

Synonyms

1-chloro-4-isocyanatobenzene4-Chlorophenyl isocyanate4-氯苯异氰酸酯4-Isocyanato chlorobenzene对氯苯异氰酸酯4-Chlorophenyl isocyanate4-氯苯基异氰酸酯

Registration numbers

PubChem SID

2484921816207621624855448

MDL Number

EC Number

Beilstein Number

CAS Number

PubChem CID

Molecule Details

152277

Packaging
5, 100, 500 g in glass bottle

References

PubChem Literature

From Data Sources

• For general chemistry of isocyanates, see Appendix 3.

• Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ?-lactams in high yield: Nippon Kagaku Kaishi, 459 (1995):

Bioactivity

PubChem BioAssay

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

GHS Hazard statements

H302-H315-H318-H330-H334-H335-H410

H330-H315-H335-H334-H318-H400-H410-H303

Safety Statements

23-26-28-36/37/39-45

26-28-36/37/39-45-60-61-63

Risk Statements

25-26-37/38-41-42

22-26-37/38-41-42-50/53

MSDS Link

Download link

GHS Precautionary statements

P260-P273-P280-P284-P305+P351+P338-P310

P260-P304+P340-P305+P351+P338-P320-P405-P501A

RID/ADR

UN 2811 6.1/PG 2

RTECS

NQ8575000

GHS Signal Word

Danger

European Hazard Symbols

Highly toxic (T+)

Nature polluting (N)

Hazard Class

6.1

German water hazard class

Storage Temperature

2-8°C

Packing Group

UN Number

2811

UN2811

TSCA Listed

是

Molecule

ID:89336