3-Anilinopropionitrile
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
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
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%