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104-85-8

104-85-8 structure

104-85-8 structure

Name: p-Tolunitrile
Chemical Name: p-Tolunitrile
CAS Number: 104-85-8
Molecular Formula: C₈H₇N
Molecular Weight: 117.148
Catalog: Chemical reagent Organic reagent Cyanide/nitrile
Create Date: 2018-02-09 08:00:00
Modify Date: 2026-07-05 15:20:20

Name	p-Tolunitrile
Synonyms	p-toluenitrile 4-Methylbenzyl cycnide p-Tolumitrile MFCD00001827 CNT 4-METHYLBENZONITRILE 4-Methylbenzonitrile p-Tolylnitrile 4-TOLUNITRILE p-toluic nitrile Tranexamic Acid Impurity 12 p-Toluenenitrile J-104 1-Methyl-4-cyanobenzene P-TOLUNITRILE P-METHYLBENZONITRILE EINECS 203-244-8 pa-methylbenzonitrile 4-methylcyanobenzene p-Tolunitril 4-METHYLBENZENECBONITRILE nitrilkyselinyp-toluylove P-CYANO TOLUENE 4-CYANOTOLUENE 4-METHYLBENZONITRILE(4-CYANOTOLUENE) 4-Cyanotoluene Nitril kyseliny p-toluylove p-toluonitrile 4-Toluenkbonitril 4-methyl-benzonitril p-Methylbenzonitrile / 4-Tolunitrile pa-tolunitrile 4-Toluyl nitrile P-Tounitrile p-Toluonitril P-TOLYL CYANIDE P-TOLUNITRILE ML p-Tolunitrile, R Benzonitrile,4-methyl

Density	1.0±0.1 g/cm3
Boiling Point	218.4±9.0 °C at 760 mmHg
Melting Point	26-28 °C(lit.)
Molecular Formula	C₈H₇N
Molecular Weight	117.148
Flash Point	85.6±11.2 °C
Exact Mass	117.057846
PSA	23.79000
LogP	2.12
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.531
Stability	Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility	<0.1 g/100 mL at 17 ºC

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XV0700000

CHEMICAL NAME :: p-Tolunitrile

CAS REGISTRY NUMBER :: 104-85-8

LAST UPDATED :: 199707

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C8-H7-N

MOLECULAR WEIGHT :: 117.16

WISWESSER LINE NOTATION :: NCR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,904,1986

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 :: 3800 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 :: 1300 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 :: 1080 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory depression

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

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H315-H319-H334-H335
Precautionary Statements	P261-P305 + P351 + P338-P342 + P311
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/38
Safety Phrases	S26-S36/37-S37
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	XV0700000
Packaging Group	I; II
Hazard Class	6.1
HS Code	29269095

Precursor 10
3235-02-7 106-38-7 68-12-2 624-31-7
104-84-7 1158998-82-3 13107-39-6 589-18-4
14062-78-3 122334-36-5
DownStream 10
10532-64-6 55805-10-2 34490-85-2 3816-66-8
42872-74-2 52798-01-3 50737-29-6 42872-73-1
60710-80-7 5337-93-9

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%

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