3-methylbenzonitrile

Modify Date: 2025-08-21 13:52:27

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

Name	3-methylbenzonitrile
Synonym	More Synonyms

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

3-methylbenzonitrile MSDS(Chinese)

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

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

Precursor 10
CAS#:591-17-3 3-Bromotoluene CAS#:68-12-2 N,N-Dimethylfor... CAS#:135754-82-4 3,N-DIMETHYL-N-... CAS#:618-47-3 m-toluamide
CAS#:108-38-3 m-Xylene CAS#:6935-65-5 Benzamide,N,N,3... CAS#:52707-50-3 Benzaldehyde, 3... CAS#:120-33-2 Ethyl 3-methylb...
CAS#:28188-41-2 m-cyanobenzyl b... CAS#:620-23-5 m-Tolualdehyde
DownStream 10
CAS#:4387-32-0 2-Chlor-5-methy... CAS#:3113-71-1 3-Methyl-4-nitr... CAS#:4389-45-1 2-Amino-3-methy... CAS#:3113-72-2 2-Nitro-5-methy...
CAS#:34231-22-6 (3-(AMINOMETHYL... CAS#:5437-38-7 3-Methyl-2-nitr... CAS#:42872-83-3 2-Bromo-5-methy... CAS#:148278-90-4 (3-(METHOXYMETH...
CAS#:40067-82-1 N-Hydroxy-4-met... CAS#:94192-16-2 3-[3-(3-methylp...

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%

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)

1-Cyano-3-methylbenzene

Benzonitrile,3-methyl

3-Methylbenzolcarbonitril

m-Tolynitrile

M-Tolunitrile

3-Methylbenzonitrile

MFCD00001808

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m-Toluenenitrile

m-Tolylnitrile

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Benzonitrile, 3-methyl-

m-Methylbenzonitrile

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NCR C1

EINECS 210-631-5

Letrozole Impurity 6

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-methylbenzonitrile
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 3-methylbenzonitrile
Price: ￥98.0/25ml ￥278.0/100ml
Purity: 98.0%
Delivery: 3 Day
Contact: Liu jia
Email: 2130147988@qq.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: m-Tolunitrile
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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3-methylbenzonitrile

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