o-Tolunitrile

Modify Date: 2024-01-02 18:00:27

o-Tolunitrile Structure
o-Tolunitrile structure
 Common Name o-Tolunitrile
CAS Number 529-19-1 Molecular Weight 117.148
Density 1.0±0.1 g/cm3 Boiling Point 206.0±9.0 °C at 760 mmHg
Molecular Formula C8H7N Melting Point -13 °C
MSDS Chinese USA Flash Point 78.0±11.2 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name o-Tolunitrile
Synonym More Synonyms

 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

 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
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

 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%

 Articles1

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 ...

 Synonyms

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
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Chemsrc provides o-Tolunitrile(CAS#:529-19-1) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of o-Tolunitrile are included as well.>> amp version: o-Tolunitrile

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