Skip to Content
Merck
All Photos(1)

Key Documents

Safety Information

512087

Sigma-Aldrich

4-Bromo-3-methylphenyl isocyanate

98%

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
BrC6H3(CH3)NCO
CAS Number:
Molecular Weight:
212.04
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

98%

refractive index

n20/D 1.584 (lit.)

bp

245 °C (lit.)

density

1.507 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cc(ccc1Br)N=C=O

InChI

1S/C8H6BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3

InChI key

AYFMPMKATOGAGY-UHFFFAOYSA-N

Pictograms

Health hazardExclamation mark

Signal Word

Danger

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

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

512087-BULK:
512087-VAR:
512087-5G:


Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Utsab Manna et al.
Dalton transactions (Cambridge, England : 2003), 46(31), 10374-10386 (2017-07-27)
A meta-phenylenediamine-based disubstituted bis-urea receptor L1 with electron-withdrawing 3-chloro and electron-donating 4-methylphenyl terminals has been established as a potential system to fix and efficiently capture atmospheric CO

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service