3-Anilinopropionitrile

Modify Date: 2024-01-09 14:19:20

3-Anilinopropionitrile Structure
3-Anilinopropionitrile structure
Common Name 3-Anilinopropionitrile
CAS Number 1075-76-9 Molecular Weight 146.18900
Density 1.08 g/cm3 Boiling Point 160 °C / 6mmHg
Molecular Formula C9H10N2 Melting Point 52-53 °C(lit.)
MSDS N/A Flash Point >230 °F

 Names

Name 3-Anilinopropionitrile
Synonym More Synonyms

 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)

 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

 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%

 Synonyms

3-anilinopropanenitrile
EINECS 214-057-6
MFCD00001953
N-(2-Cyanoethyl)aniline