o-Tolunitrile
Names
[ CAS No. ]:
529-19-1
[ Name ]:
o-Tolunitrile
[Synonym ]:
o-Tolunitrile
O-CYANO TOLUENE
o-Toluonitrile
2-Methylbenzonitrile
o-Cyanotoluene
2-tolylnitrile
o-Tolylnitrile
CNT
o-Toluic nitrile
o-toluenenitrile
1-Methyl-2-cyanobenzene
Benzonitrile, 2-methyl-
O-TOLYL CYANIDE
2-TOLUNITRILE
2-Cyanotoluene
UNII-3048F2A3KT
Benzonitrile, 2-methyl
o-methylbenzonitrile
EINECS 208-451-7
MFCD00001792
methylbenzonitrile
2-methylbenzenecarbonitrile
Letrozole Impurity 7
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
206.0±9.0 °C at 760 mmHg
[ Melting Point ]:
-13 °C
[ Molecular Formula ]:
C8H7N
[ Molecular Weight ]:
117.148
[ Flash Point ]:
78.0±11.2 °C
[ Exact Mass ]:
117.057846
[ PSA ]:
23.79000
[ LogP ]:
2.12
[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.531
[ Water Solubility ]:
<0.1 g/100 mL at 17 ºC
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XV0600000
- CHEMICAL NAME :
- o-Tolunitrile
- CAS REGISTRY NUMBER :
- 529-19-1
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C8-H7-N
- MOLECULAR WEIGHT :
- 117.16
- WISWESSER LINE NOTATION :
- NCR B1
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 :
- 3200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 618 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H412
[ Precautionary Statements ]:
P273
[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R38;R52/53
[ Safety Phrases ]:
S61-S37
[ RIDADR ]:
3276
[ WGK Germany ]:
2
[ RTECS ]:
XV0600000
[ Packaging Group ]:
I; II
[ Hazard Class ]:
6.1
[ HS Code ]:
29269095
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%
Articles
J. Chem. Phys. 144 , 44303, (2016)
Rotationally resolved fluorescence excitation spectra of the origin bands in the S1 ← S0 transition of 2-tolunitrile (2TN) and 3-tolunitrile (3TN) have been recorded in the collision-free environment ...