2-Nitrophenylacetonitrile

Names

[ CAS No. ]:
610-66-2

[ Name ]:
2-Nitrophenylacetonitrile

[Synonym ]:
MFCD00007183
2-(2-nitrophenyl)acetonitrile
EINECS 210-231-0

Chemical & Physical Properties

[ Density]:
1.272 g/cm3

[ Boiling Point ]:
178°C

[ Melting Point ]:
82-85 °C(lit.)

[ Molecular Formula ]:
C₈H₆N₂O₂

[ Molecular Weight ]:
162.14500

[ Flash Point ]:
138ºC

[ Exact Mass ]:
162.04300

[ PSA ]:
69.61000

[ LogP ]:
2.18408

[ Index of Refraction ]:
1.577

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
<0.01 g/100 mL at 20 ºC

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM1248000

CHEMICAL NAME :: Acetonitrile, (o-nitrophenyl)-

CAS REGISTRY NUMBER :: 610-66-2

BEILSTEIN REFERENCE NO. :: 1869400

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H6-N2-O2

MOLECULAR WEIGHT :: 162.16

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 100 ug/plate

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36-S24/25

[ RIDADR ]:
3439

[ WGK Germany ]:
3

[ RTECS ]:
AM1248000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

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

Enantioselective total synthesis of (-)-strychnine using the catalytic asymmetric Michael reaction and tandem cyclization.

J. Am. Chem. Soc. 124(49) , 14546-7, (2002)

The enantioselective total synthesis of (-)-strychnine was accomplished through the use of the highly practical catalytic asymmetric Michael reaction (0.1 mol % of (R)-ALB, more than kilogram scale, w...

Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.

Org. Biomol. Chem. 12(2) , 355-61, (2014)

An effective and convenient method has been developed for the preparation of 2 or 2,4-substituted α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile i...

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