3-methylbenzonitrile
Names
[ CAS No. ]:
620-22-4
[ Name ]:
3-methylbenzonitrile
[Synonym ]:
1-Cyano-3-methylbenzene
Benzonitrile,3-methyl
3-Methylbenzolcarbonitril
m-Tolynitrile
M-Tolunitrile
3-Methylbenzonitrile
MFCD00001808
1-Methyl-3-cyanobenzene
m-Toluenenitrile
m-Tolylnitrile
3-Cyanotoluene
3-Tolunitrile
Benzonitrile, 3-methyl-
m-Methylbenzonitrile
m-Toluonitrile
m-Cyanotoluene
NCR C1
EINECS 210-631-5
Letrozole Impurity 6
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
213.8±9.0 °C at 760 mmHg
[ Melting Point ]:
−23 °C(lit.)
[ Molecular Formula ]:
C8H7N
[ Molecular Weight ]:
117.148
[ Flash Point ]:
86.7±0.0 °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 25 ºC
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XV0525000
- CHEMICAL NAME :
- m-Tolunitrile
- CAS REGISTRY NUMBER :
- 620-22-4
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C8-H7-N
- MOLECULAR WEIGHT :
- 117.16
- WISWESSER LINE NOTATION :
- NCR C1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,904,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986
Safety Information
[ 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 ]:
R36/38
[ Safety Phrases ]:
S26-S36/37/39-S45-S37
[ RIDADR ]:
3276
[ WGK Germany ]:
3
[ RTECS ]:
XV0525000
[ Packaging Group ]:
I; II
[ Hazard Class ]:
6.1
[ 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%
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 ...
Rh (III)-photosensitized interconversion of norbornadiene and quadricyclane. Sluggett GW, et al.J. Phys. Chem. A 101(47) , 8834-8838, (1997)
Ultrasound-promoted synthesis of nitriles from aldoximes under ambient conditions. Jiang N and Ragauskas AJ.
Tetrahedron Lett. 51(34) , 4479-4481, (2010)