p-Tolunitrile

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Names

[ CAS No. ]:
104-85-8

[ Name ]:
p-Tolunitrile

[Synonym ]:
4-Methylbenzyl cycnide
p-Tolunitril
p-Tolunitrile
p-Tolumitrile
MFCD00001827
Benzonitrile, 4-methyl-
CNT
4-Methylbenzonitrile
4-Cyanotoluene
p-Tolylnitrile
p-toluonitrile
4-TOLUNITRILE
P-Tounitrile
p-Toluonitril
EINECS 203-244-8

Chemical & Physical Properties

[ 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

MSDS

Click to get detail MSDS

Toxicological Information

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

Safety Information

[ 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzaldehyde,4-methyl-, oxime
  • 4-Bromotoluene
  • N,N-Dimethylformamide
  • 4-Iodotoluene
  • 4-Methylbenzylamine
  • 4-methyl-N,N-dichlorobenzylamine
  • 4-vinyltoluene oxide
  • p-tolylmethanol
  • Benzamide,N,N,4-trimethyl-
  • 4,N-DIMETHYL-N-METHOXYBENZAMIDE

DownStream

  • (4-methylphenyl)cyanamide
  • 4-(Difluoromethyl)benzonitrile
  • 4-dimethylaminomethylbenzylamine
  • 3-Hydroxy-4-methylbenzonitrile
  • 3-Bromo-4-methylbenzonitrile
  • Methyl (4-cyanophenyl)acetate
  • 5-Chloromethyl-3-p-tolyl-[1,2,4]oxadiazole
  • 2-Bromo-4-methylbenzonitrile
  • 3-Amino-p-tolunitrile
  • 4-Methylpropiophenone

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%

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Related Compounds

  • P-TOLUNITRILE-D7
  • p-tolunitrile oxide
  • 2-Nitro-p-tolunitrile
  • α-Bromo-p-tolunitrile
  • 3-Bromo-p-tolunitrile
  • 3-Amino-p-tolunitrile
  • 2-(1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
  • (E)-N-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-2-(p-tolyl)ethenesulfonamide
  • 2-(4-Benzyl-1-(tert-butoxycarbonyl)piperazin-2-yl)acetic acid
  • 3-Hydroxy-5-methylheptanoic acid
  • 7-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
  • 3-(2-fluorobenzyl)-7-{[3-(2-furyl)-1-methylpropyl]amino}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
  • (3S,4aR,12bS)-4a,8,12b-trihydroxy-3-methyl-3,4,6a,12a-tetrahydro-2H-benzo[a]xanthene-1,12-dione
  • 2-Bromo-4-((pyrrolidin-3-ylmethoxy)methyl)pyridine hydrochloride
  • Methyl 2,2-dimethyl-3-sulfamoylpropanoate
  • Methyl 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoate
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