CAS 764-42-1 Fumaronitrile - Materials / Alfa Chemistry

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Fumaronitrile

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Catalog Number

ACM764421

Product Name

Fumaronitrile

Structure

CAS

764-42-1

Category

Battery Materials

Description

Fumaronitrile appears as needles or brown crystalline solid. (NTP, 1992)

IUPAC Name

(E)-but-2-enedinitrile

Molecular Weight

78.069999999999993

Molecular Formula

C4H2N2

Canonical SMILES

C(=CC#N)C#N

InChI

InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+

InChI Key

KYPOHTVBFVELTG-OWOJBTEDSA-N

Boiling Point

186 °C

Melting Point

97 °C

Flash Point

186°C

Purity

>98.0%(GC)

Density

1.249 g/cm3 (20 ºC)

Solubility

soluble in Benzene,Acetone,Ether,Ethanol

Appearance

White to Light yellow powder to crystal

Complexity

119

Covalently-Bonded Unit Count

EC Number

212-122-3

Exact Mass

78.021798g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Log P

-0.25 (LogP)

MDL Number

MFCD00001928

MeSH Entry Terms

fumarodinitrile;fumaronitrile

Monoisotopic Mass

78.021798g/mol

NSC Number

17555

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Refractive Index

1.4920 (589.3 nm 20℃)

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.05

UN Number

3439

XLogP3

-0.2

MSDS