3-Ethoxyacrylonitrile

Names

[ Name ]:
3-Ethoxyacrylonitrile

[Synonym ]:
MFCD00010193
2-Propenenitrile, 3-ethoxy-
3-Ethoxyprop-2-enenitrile
EINECS 262-706-7
trans-3-ethoxyacrylonitrile
3-Aethoxy-acrylonitril
3-ethoxy-acrylonitrile
3-ethoxy-acrylonitril
3-Ethoxyacrylonitrile
3-ETHOXYPROPENENITRILE
3-Ethoxyacry
3-EAN
usafkf-27

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
196.9±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C₅H₇NO

[ Molecular Weight ]:
97.115

[ Flash Point ]:
81.7±0.0 °C

[ Exact Mass ]:
97.052765

[ PSA ]:
33.02000

[ LogP ]:
0.66

[ Vapour Pressure ]:
0.4±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.429

[ Water Solubility ]:
19 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AT6475000

CHEMICAL NAME :: Acrylonitrile, 3-ethoxy-

CAS REGISTRY NUMBER :: 61310-53-0

BEILSTEIN REFERENCE NO. :: 1743219

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H7-N-O

MOLECULAR WEIGHT :: 97.13

WISWESSER LINE NOTATION :: NC1U1O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R10;R22

[ Safety Phrases ]:
S26-S36-S16

[ RIDADR ]:
3276

[ WGK Germany ]:
1

[ RTECS ]:
AT6475000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Nitrosative cytosine deamination. An exploration of the chemistry emanating from deamination with pyrimidine ring-opening.

Chem. Res. Toxicol. 18(8) , 1211-8, (2005)

A discussion of nitrosative deamination of cytosine 1 is presented that argues for the formation of 6 by diazotization of 1 to cytosinediazonium ion 2 and its electrostatic complex 3, dediazoniation t...

Heck reactions of 2-substituted enol ethers with aryl bromides catalysed by a tetraphosphine/palladium complex. Battace A, et al.

Tetrahedron Lett. 47(4) , 459-62, (2006)