6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

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Names

[ CAS No. ]:
21440-97-1

[ Name ]:
6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

[Synonym ]:
6-Bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Brofoxinum [INN-Latin]
EINECS 244-389-7
6-Bromo-1,4-dihydro-4,4-dimethyl-1,3-benzo[d]oxazin-2-one
Brofossina [DCIT]
Brofoxina
6-bromo-4,4-dimethyl-1,4-dihydro-2H-[d][3,1]-benzoxazin-2-one
6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
Dimethabrone
2H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro-4,4-dimethyl-
MFCD00866701
Brofoxina [INN-Spanish]
F.I. 6820
6-bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
brofoxine

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
269.8±40.0 °C at 760 mmHg

[ Melting Point ]:
203-205ºC

[ Molecular Formula ]:
C10H10BrNO2

[ Molecular Weight ]:
256.096

[ Flash Point ]:
117.0±27.3 °C

[ Exact Mass ]:
254.989487

[ PSA ]:
38.33000

[ LogP ]:
3.72

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.554

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM3679200
CHEMICAL NAME :
4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-bromo-4,4-dimethyl-
CAS REGISTRY NUMBER :
21440-97-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-Br-N-O2
MOLECULAR WEIGHT :
256.12
WISWESSER LINE NOTATION :
T66 BMVO EHJ EE HE

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 :
980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 25,787,1969

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N,N-Carbonyldiimidazole
  • 2-(2-AMINO-5-BROMOPHENYL)PROPAN-2-OL
  • Methyl 2-amino-5-bromobenzoate

DownStream

  • 6-(3-CHLORO-4-FLUOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
  • 6-(2-CHLOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
  • 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE
  • 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-5-FLUOROBENZONITRILE
  • 6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
  • 6-(3-CHLORO-5-FLUOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
  • 6-(3-FLUOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
  • Boronic acid, (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)- (9CI)
  • 6-(3-CHLOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
  • 6-BROMO-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZINE-2(4H)-THIONE

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%