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

Modify Date: 2024-02-19 19:51:31

(4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate Structure
(4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate structure
Common Name (4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate
CAS Number 99990-28-0 Molecular Weight 282.13300
Density 1.468g/cm3 Boiling Point 413.6ºC at 760mmHg
Molecular Formula C12H12BrNO2 Melting Point N/A
MSDS N/A Flash Point 204ºC

 Names

Name (4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate
Synonym More Synonyms

 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

~%

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

(4-bromo-2-meth...

CAS#:99990-28-0

Literature: Wolf; Stille Arzneimittel Forschung, 1957 , vol. 7, p. 85,87

 Synonyms

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)