3-methylbenzonitrile

Modify Date: 2024-01-02 17:40:07

3-methylbenzonitrile Structure
3-methylbenzonitrile structure
Common Name 3-methylbenzonitrile
CAS Number 620-22-4 Molecular Weight 117.148
Density 1.0±0.1 g/cm3 Boiling Point 213.8±9.0 °C at 760 mmHg
Molecular Formula C8H7N Melting Point −23 °C(lit.)
MSDS Chinese USA Flash Point 86.7±0.0 °C

 Names

Name 3-methylbenzonitrile
Synonym More Synonyms

 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

 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

 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%

 Articles3

More Articles
Electronic spectra of 2- and 3-tolunitrile in the gas phase. I. A study of methyl group internal rotation via rovibronically resolved spectroscopy.

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)

 Synonyms

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
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