CAS 1572-52-7 2,4-Dicyano-1-butene (HCID 74080)

Names & identifiers

Preferred name: 2,4-Dicyano-1-butene
IUPAC: 2-methylidenepentanedinitrile
English name: 2-Methyleneglutaronitrile
Molecular formula: C6H6N2
Molecular weight: 106.13

Names & synonyms

2-Methyleneglutaronitrile2-Methylenepentanedinitrile1572-52-7Methylene glutaronitrile2,4-Dicyano-1-butenePentanedinitrile, 2-methylene-Glutaronitrile, 2-methylene-2-MethyleneglutarodinitrileDTXSID2027418EINECS 216-391-8.alpha.-Methyleneglutaronitrile.alpha.-Methyleneglutarodinitrile

Show more names

2,4-Dicyanobutene-1acrylonitrile dimer2-Methylenepentanedinitri2,4-Pentanedicarbonitrile2-methylene-pentanedinitril3-Butene-1,3-dicarbonitrile

0Y85F7Y2B8DTXCID007418METHYLENEGLUTARONITRILE, 2-.ALPHA.-CYANOETHYLACRYLONITRILEalpha-Methyleneglutaronitrilealpha-MethyleneglutarodinitrileRefChem:443503alpha-cyanoethylacrylonitrile

Database identifiers

CAS: 1572-52-7
PubChem CID: 74080
DTXSID: DTXSID2027418
ChEMBL: CHEMBL3182918
UNII: 0Y85F7Y2B8
EC Number: 216-391-8
Nikkaji: J27.805J

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 173

Physicochemical properties

Melting point: 9.6 °C · −9.6 °C(lit.)
Boiling point: 254 °C · 254 °C(lit.)
Density: 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.456(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 1572 · 1572-52-7(CAS DataBase Reference)
FDA UNII: 0 Y85F7Y2B8 · 0Y85F7Y2B8
NIST Chemistry Reference: 2 · Pentanedinitrile, 2-methylene-(1572-52-7)
EPA Substance Registry System: 2 · Pentanedinitrile, 2-methylene- (1572-52-7)
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36
RIDADR: 3276 · UN 3276 6.1/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 46.8% (37 of 79) of reports.

Warning

H302 (49.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (49.4%)

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
hs_code: 2926907090
risk_code: 20/21/22
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xn
safety_code: 36
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPentanedinitrile, 2-methylene-: ACTIVE

Applications

Description2-Methyleneglutaronitrile [1572-52-7], acrylonitrile dimer, 2,4-dicyano-1-butene, 2- methylenepentanedinitrile, NCC2H4C (=CH2) CN, is a colorless liquid slightly miscible with water, ethanol, acetone and benzene, immiscible with hexane.

UsesVinyl monomer for polymerization and copoly-merization, intermediate in making fibers and phar-maceuticals.