4-Ethynyltoluene

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Names

[ CAS No. ]:
766-97-2

[ Name ]:
4-Ethynyltoluene

[Synonym ]:
Benzene, 1-ethynyl-4-methyl-
p-ethynyltoluene
4-Ethynyltoluene
4-Methylphenylacetylene
1-Ethynyl-4-methylbenzene
MFCD00008571

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
164.1±19.0 °C at 760 mmHg

[ Melting Point ]:
168-170

[ Molecular Formula ]:
C9H8

[ Molecular Weight ]:
116.160

[ Flash Point ]:
48.9±0.0 °C

[ Exact Mass ]:
116.062599

[ LogP ]:
2.86

[ Vapour Pressure ]:
2.6±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.534

[ Storage condition ]:
Keep Cold

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT2570000
CHEMICAL NAME :
Toluene, p-ethynyl-
CAS REGISTRY NUMBER :
766-97-2
BEILSTEIN REFERENCE NO. :
0969653
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H8
MOLECULAR WEIGHT :
116.17
WISWESSER LINE NOTATION :
1UU1R D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05936

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R10;R36/37/38

[ Safety Phrases ]:
S16-S26-S27-S36/37/39

[ RIDADR ]:
UN 3295 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
XT2570000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2902909090

Precursor & DownStream

Precursor

  • 4-Iodotoluene
  • Propiolic acidd
  • TRIMETHYL(P-TOLYLETHYNYL)SILANE
  • TMS-acetylene
  • 1-(1,2-dibromoethyl)-4-methylbenzene
  • 4'-Methylacetophenone
  • Bromo(ethynyl)magnesium
  • 1-(2,2-dibromoethenyl)-4-methylbenzene
  • 2-methyl-4-(4-methylphenyl)but-3-yn-2-ol
  • 4-Bromotoluene

DownStream

  • 5-(4-methylphenyl)-2-phenyl-1,3-oxazole
  • Benzamide
  • 1-Methyl-4-((E)-styryl)-benzene
  • 3-(4-Methylphenyl)propanoic acid
  • 2-(p-Tolyl)propanoic acid
  • 1-(chloroethynyl)-4-methylbenzene
  • 2,2-Dichloro-1-(p-tolyl)ethanone
  • α.β-dichloro-4-methyl-styrene

Customs

[ HS Code ]: 2902909090

[ Summary ]:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Related Compounds

  • 2-fluoro-4-ethynyltoluene
  • 4-chlorooxolan-3-ol,formic acid
  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • (4-acetyl-3,5-diacetyloxyphenyl) acetate
  • (4-chlorophenyl)-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methanone,chloride
  • 7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-[(4-methoxyphenyl)methyl]-4aH-quinazoline-2,4-dione
  • (e)-3-(4-Fluorobiphenyl-2-yl)acrylic acid
  • 1-(3,3-dimethyl-2-oxobutyl)-3-(3,4-dimethylphenyl)-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-1-ium-2,4-dione
  • Methyl 2-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
  • methyl 2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl]pyridine-3-carboxylate
  • 5-(2-Chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),11,13-triene-7-thione
  • 11-(Hydroxymethyl)-5-(2-methoxyphenyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,11,13-pentaen-7-one
  • 1-(4-Methoxyphenyl)-3-sulfanylidenepyrazin-1-ium-2-one
  • 1-(3,5-Dimethylphenyl)-3-sulfanylidenepyrazin-1-ium-2-one
  • 1-(3-Methoxyphenyl)pyrazin-1-ium-2,3-dione
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