CAS 529-19-1|o-Tolunitrile

Introduction：Basic information about CAS 529-19-1|o-Tolunitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

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	ChineseUSA	Flash Point	78.0±11.2 °C
Symbol	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
InChIKey	NWPNXBQSRGKSJB-UHFFFAOYSA-N
SMILES	Cc1ccccc1C#N
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
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

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

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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