Phenylacetylene

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Names

[ CAS No. ]:
536-74-3

[ Name ]:
Phenylacetylene

[Synonym ]:
1-ethynylbenzene
phenyl acethylene
EINECS 208-645-1
1-phenylacetylene
MFCD00008570
phenyalcetylene
1-phenyleth-1-yne
N4-phenyl-phenylacetic acid semicarbazide
4-Phenyl-1-phenylacetyl-semicarbazid
1-Phenylacetyl-4-phenylsemicarbazid
Ethynylbenzene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
142.4±9.0 °C at 760 mmHg

[ Melting Point ]:
-44.8 °C

[ Molecular Formula ]:
C₈H₆

[ Molecular Weight ]:
102.133

[ Flash Point ]:
31.1±0.0 °C

[ Exact Mass ]:
102.046951

[ LogP ]:
2.40

[ Vapour Pressure ]:
7.0±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.542

[ Stability ]:
Stable. Flammable. Incompatible with strong oxidizing agents, acids, halogens.

[ Water Solubility ]:
INSOLUBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DA0780000

CHEMICAL NAME :: Benzene, ethynyl-

CAS REGISTRY NUMBER :: 536-74-3

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C8-H6

MOLECULAR WEIGHT :: 102.14

WISWESSER LINE NOTATION :: 1UU1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 mL/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage

REFERENCE :: AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 19,403,1959

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#04866 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4674 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R10;R36/37/38;R40;R65

[ Safety Phrases ]:
S16-S26-S36/37/39-S45

[ RIDADR ]:
UN 3295 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
DA0780000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2901100000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(2-Bromovinyl)benzene
Iodobenzene
Propiolic acidd
trimethylsilylethynylbenzene
2-Methyl-4-phenyl-3-butyn-2-ol
Benzene, [(1Z)-2-bromoethenyl]-
(1,2-dibromo-ethyl)-benzene
alpha-Bromostyrene
TMS-acetylene

DownStream

1,2,3,3,6,6-hexafluoro-4-phenylcyclohexa-1,4-diene
(3,3,4-trifluoro-4-(1,2,2-trifluorovinyl)cyclobut-1-en-1-yl)benzene
1-phenyl-4-tetrafluoroethylidene-3,3-difluoro-1-cyclobutene
2-butylselanylethynylbenzene
(2-butylselanyl-vinyl)-benzene
2-ethylselanylethynylbenzene
2-methyl-4-phenylbuta-2,3-dien-1-ol
(4-METHOXYPHENYL)(2-PHENYL-1H-INDOL-3-YL)METHANONE
7-Methoxy-2-phenylbenzofuran-5-carboxaldehyde
2-phenylethenylphosphonic acid

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%