3-Anilinopropionitrile

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Names

[ CAS No. ]:
1075-76-9

[ Name ]:
3-Anilinopropionitrile

[Synonym ]:
3-anilinopropanenitrile
EINECS 214-057-6
MFCD00001953
N-(2-Cyanoethyl)aniline

Chemical & Physical Properties

[ Density]:
1.08 g/cm3

[ Boiling Point ]:
160 °C / 6mmHg

[ Melting Point ]:
52-53 °C(lit.)

[ Molecular Formula ]:
C9H10N2

[ Molecular Weight ]:
146.18900

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
146.08400

[ PSA ]:
35.82000

[ LogP ]:
2.08518

[ Vapour Pressure ]:
0.00018mmHg at 25°C

[ Index of Refraction ]:
1.5632 (25ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG0770000
CHEMICAL NAME :
Propionitrile, 3-anilino-
CAS REGISTRY NUMBER :
1075-76-9
BEILSTEIN REFERENCE NO. :
0509166
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H10-N2
MOLECULAR WEIGHT :
146.21
WISWESSER LINE NOTATION :
NC2MR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),50,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),32,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
4500 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 32,223,1980

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21

[ Safety Phrases ]:
S26-S37/39-S36/37

[ WGK Germany ]:
3

[ RTECS ]:
UG0770000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acrylonitrile
  • 3-chloropropiononitrile
  • 2-Oxazolidinone,3-phenyl-
  • 3-Bromopropionitrile
  • 2-Naphthaleneboronic acid
  • 5-chloro-2-phenyl-3,4-dihydropyrazole
  • Anilinium chloride
  • 2-[Bis-(2-cyanethyl)-amino]-buttersaeure
  • 2-((2-cyanoethyl)amino)hexanoic acid

DownStream

  • 3-(3-Methyl-1H-indol-1-yl)propanoic acid
  • N-(2'-Cyanoethyl)-N-(2"-hydroxyethyl)aniline
  • 3-Amino-4,5-dihydro-1-phenylpyrazole
  • 2-cyanoethyl(phenyl)cyanamide
  • 3-(3-Methyl-1H-indol-1-yl)propanenitrile
  • N'-phenylpropane-1,3-diamine
  • 3-(3-phenylindol-1-yl)propanenitrile
  • 3-(Phenylamino)propanoic acid
  • α-(anilinomethylene)-3,5-bis(methylamino)hydrocinnamonitrile
  • 5-[[3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine

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%

Related Compounds

  • 3-benzyl-4-methyl-1,3-thiazol-3-ium,iodide
  • 3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
  • 3-(1-Benzyl-1H-indol-3-yl)-propionic acid
  • 3,3-diphenyl-4-(2-phenylethenyl)-1-tert-butyl-azetidin-2-one
  • [3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
  • 3-hydroxy-2,2,4-trimethyl-1-(2-methylphenyl)pentan-1-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • N-(3,4-dimethoxyphenyl)-2-((2-(3-methylpiperidin-1-yl)quinolin-8-yl)oxy)acetamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • N-[2-(p-Bromocinnamylamino)ethyl]-5-isoquinolinesulfonamide dihydrochloride
  • 4-fluoro-N-[2-(2-phenylethenesulfonamido)phenyl]benzene-1-sulfonamide
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde