511803

Sigma-Aldrich

4-Bromobenzyl isocyanate

98%

Synonym(s):
1-Bromo-4-(isocyanatomethyl)benzene
Linear Formula:
BrC6H4CH2NCO
CAS Number:
Molecular Weight:
212.04
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

98%

refractive index

n20/D 1.571 (lit.)

bp

266 °C (lit.)

density

1.514 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Brc1ccc(CN=C=O)cc1

InChI

1S/C8H6BrNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

InChI key

IXWMDGLNJQNMIO-UHFFFAOYSA-N

Related Categories

General description

4-Bromobenzyl isocyanate (Br-BIC) is an organic building block containing an isocyanate group. Its performance as a polymerizable electrolyte additive to prevent overcharge in lithium ion batteries has been analyzed using various techniques.

Packaging

1, 5 g in glass bottle

Pictograms

Exclamation markHealth hazard

Signal Word

Danger

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2206PSN1B 6.1 / PGIII

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

4-Bromobenzyl isocyanate versus benzyl isocyanate-New film-forming electrolyte additives and overcharge protection additives for lithium ion batteries.
Korepp C, et al.
Journal of Power Sources, 174(2), 637-642 (2007)

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