homophthalonitrile

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Names

[ Name ]:
homophthalonitrile

[Synonym ]:
alpha-Cyano-o-tolunitrile
α-Cyano-o-tolunitrile
o-Tolunitrile, α-cyano-
Homophthalonitrile
2-(Cyanomethyl)benzonitrile
2-(cyanophenyl)acetonitrile
MFCD00001895
α-Cyano-o-toluonitrile
EINECS 223-167-3
Benzeneacetonitrile, 2-cyano-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
293.8±15.0 °C at 760 mmHg

[ Melting Point ]:
76 °C

[ Molecular Formula ]:
C₉H₆N₂

[ Molecular Weight ]:
142.157

[ Flash Point ]:
140.7±14.3 °C

[ Exact Mass ]:
142.053101

[ PSA ]:
47.58000

[ LogP ]:
0.89

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.553

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XV0930000

CHEMICAL NAME :: o-Tolunitrile, alpha-cyano-

CAS REGISTRY NUMBER :: 3759-28-2

LAST UPDATED :: 199707

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H6-N2

MOLECULAR WEIGHT :: 142.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,286,1953

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332

[ Precautionary Statements ]:
P280

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

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S26-S27-S28-S36/37/39

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
XV0930000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Precursor & DownStream

Precursor

2-trimethylsilylphenyl triflate
Malononitrile
1,3-diazabenzo[d]cyclohepta-1,2,4,6-tetraene
α,o-dicyanostilbene
2-Fluorobenzonitrile
(o-cyano-phenyl) cyano acetic acid ethyl ester
o-Tolunitrile
tetrazolo[5,1-a]isoquinoline
1-azidoisoquinoline

DownStream

Isoquinoline-1,3(2H,4H)-dione
2-(1-Carboxy-2-phenylethyl)benzoic acid
1-Methyl-3-isoquinolinamine
3-Amino-1-bromoisoquinoline
2-Cyanophenylacetic acid
1h-1-acetylimino-3-methylbenzo[c]pyran-4-carbonitrile
3-METHYL-ISOCHROMEN-1-ONE
1-methoxyisoquinolin-3-amine
3-methoxyisoquinolin-1-amine
3-phenylisochromen-1-one

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

A novel synthesis of 2, 5-diphenylpyrazine. Luo M, et al.

Res. Chem. Intermed. 36(5) , 491-494, (2010)

Single step synthesis of 2, 4-dicyanonaphthylamines from synthetic equivalents of a-cyanoalkynes. Reux D and Pochat F.

J. Chem. Soc. Chem. Commun. 20 , 1419-1420, (1991)