99990-28-0

99990-28-0 structure

99990-28-0 structure

Name: (4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate
Chemical Name: (4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate
CAS Number: 99990-28-0
Molecular Formula: C₁₂H₁₂BrNO₂
Molecular Weight: 282.13300
Create Date: 2017-10-15 20:51:32
Modify Date: 2024-02-19 19:51:31

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

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

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

100123-29-3 structure

100123-29-3

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99990-28-0 structure

99990-28-0

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