(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