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Benzyl isocyanate

CAS#[3173-56-6]
G-codeGEO-00302
EC number221-640-9
Molecular formulaC8H7NO
Molecular weight133.15
Synonyms Isocyanic Acid Benzyl Ester
Structure of Benzyl isocyanate
General description

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Specification

Appearanceclear colourless liquid
Puritymin. 99% (GC)

Structural identification

CAS#[3173-56-6]
G-codeGEO-00302
EC number221-640-9
SMILESO=C=NCC1=CC=CC=C1
InChIInChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChI KeyInChIKey=YDNLNVZZTACNJX-UHFFFAOYSA-N
Download structure as .mol

Regulatory Information

Transport InformationISOCYANATES, TOXIC, FLAMMABLE, N.O.S. UN3080 6.1 (3)/ PG II
GHS pictogram
GHS08_health_hazardGHS07_harmfulGHS02_flammable
Signal WordDanger
Hazard Statements
H226 - H315 - H317 - H319 - H334 - H335

H226 – Flammable liquid and vapour
H315 – Causes skin irritation
H317 – May cause an allergic skin reaction
H319 – Causes serious eye irritation
H334 – May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335 – May cause respiratory irritation

Precautionary Statements
P210 - P233 - P240 - P280 - P303+P361+P353 - P305+P351+P338

P210 – Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233 – Keep container tightly closed.
P240 – Ground/bond container and receiving equipment.
P280 – Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353 – IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower.
P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Product categorization

Main category
Second level

Description

Benzyl isocyanate is used as a protected ammonia equivalent in the stereoselective ring-opening of chiral 2,3-epoxy alcohols from Sharpless asymmetric epoxidation…

Original article: General description and application of Benzyl isocyanate

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