(4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate

Names

[ CAS No. ]:
99990-28-0

[ Name ]:
(4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate

[Synonym ]:
Benzoic acid,p-amino-,4-bromo-2-methyl-3-butyn-2-yl ester
3-Butyn-2-ol,4-bromo-2-methyl-,p-aminobenzoate
4-Amino-benzoesaeure-(3-brom-1,1-dimethyl-prop-2-inylester)
4-amino-benzoic acid-(3-bromo-1,1-dimethyl-prop-2-ynyl ester)

Chemical & Physical Properties

[ Density]:
1.468g/cm3

[ Boiling Point ]:
413.6ºC at 760mmHg

[ Molecular Formula ]:
C12H12BrNO2

[ Molecular Weight ]:
282.13300

[ Flash Point ]:
204ºC

[ Exact Mass ]:
281.00500

[ PSA ]:
52.32000

[ LogP ]:
3.14120

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES0722000
CHEMICAL NAME :
3-Butyn-2-ol, 4-bromo-2-methyl-, p-aminobenzoate
CAS REGISTRY NUMBER :
99990-28-0
BEILSTEIN REFERENCE NO. :
3297973
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-Br-N-O2
MOLECULAR WEIGHT :
282.16
WISWESSER LINE NOTATION :
ZR DVOX1&1&1UU1E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 7,85,1957

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • (((4-bromo-2-methylbut-3-yn-2-yl)oxy)methyl)benzene
  • 1-((4-bromo-2-methylbut-3-yn-2-yl)oxy)-4-chlorobenzene
  • 1-((4-bromo-2-methylbut-3-yn-2-yl)oxy)-4-methylbenzene
  • 4-bromo-2-methylbut-3-yn-2-ol
  • 4-bromo-N-(2-methylbut-3-yn-2-yl)benzamide
  • (4-bromo-2-methyl-but-3-yn-2-yl) 4-nitrobenzoate
  • N-[4-(1-Methylethyl)phenyl]-4-(5-phenyl-2-oxazolyl)benzenesulfonamide
  • 1-[3-(3-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
  • 5-Chloro-2-hydroxy-N-(5-methylthiazol-2-yl)benzamide
  • N-(4-bromo-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)-2,2,2-trifluoroacetamide
  • 1-(5-(furan-2-yl)-1'-phenyl-3'-(p-tolyl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)-2-(piperidin-1-yl)ethanone
  • 4-chloro-N-{3-[1-(furan-2-carbonyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}benzene-1-sulfonamide
  • 1-(3-(furan-2-yl)-5-(2-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
  • furan-2-yl(5-(2-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
  • (Cyclopentylethynyl)benzene
  • N-(3-(1-acetyl-5-(2-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
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