6-Bromo-1,3-benzoxazol-2-amine

Modify Date: 2024-01-03 13:59:09

6-Bromo-1,3-benzoxazol-2-amine Structure
6-Bromo-1,3-benzoxazol-2-amine structure
 Common Name 6-Bromo-1,3-benzoxazol-2-amine
CAS Number 52112-66-0 Molecular Weight 213.031
Density 1.8±0.1 g/cm3 Boiling Point 340.4±34.0 °C at 760 mmHg
Molecular Formula C7H5BrN2O Melting Point N/A
MSDS N/A Flash Point 159.7±25.7 °C

 Names

Name 6-bromo-1,3-benzoxazol-2-amine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Boiling Point 340.4±34.0 °C at 760 mmHg
Molecular Formula C7H5BrN2O
Molecular Weight 213.031
Flash Point 159.7±25.7 °C
Exact Mass 211.958511
PSA 52.05000
LogP 2.64
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.716

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4530000
CHEMICAL NAME :
Benzoxazole, 2-amino-6-bromo-
CAS REGISTRY NUMBER :
52112-66-0
BEILSTEIN REFERENCE NO. :
0127765
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H5-Br-N2-O
MOLECULAR WEIGHT :
213.05
WISWESSER LINE NOTATION :
T56 BN DOJ CZ GE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
294 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964

 Safety Information

Hazard Codes Xn
HS Code 2934999090

 Synthetic Route

1-(4-Bromophenyl)urea structure

1-(4-Bromopheny...

CAS#:1967-25-5

~%

6-Bromo-1,3-benzoxazol-2-amine Structure

6-Bromo-1,3-ben...

CAS#:52112-66-0

Literature: Chikhale, Rupesh V.; Pant, Amit M.; Menghani, Sunil S.; Wadibhasme, Pankaj G.; Khedekar, Pramod B. South African Journal of Chemistry, 2013 , vol. 66, p. 254 - 262
Benzooxazol-2-ylamine structure

Benzooxazol-2-y...

CAS#:4570-41-6

~62%

6-Bromo-1,3-benzoxazol-2-amine Structure

6-Bromo-1,3-ben...

CAS#:52112-66-0

Literature: Stec, Markian M.; Andrews, Kristin L.; Booker, Shon K.; Caenepeel, Sean; Freeman, Daniel J.; Jiang, Jian; Liao, Hongyu; McCarter, John; Mullady, Erin L.; San Miguel, Tisha; Subramanian, Raju; Tamayo, Nuria; Wang, Ling; Yang, Kevin; Zalameda, Leeanne P.; Zhang, Nancy; Hughes, Paul E.; Norman, Mark H. Journal of Medicinal Chemistry, 2011 , vol. 54, # 14 p. 5174 - 5184
(4-Bromo-2-hydroxyphenyl)thiourea structure

(4-Bromo-2-hydr...

CAS#:1404480-07-4

~%

6-Bromo-1,3-benzoxazol-2-amine Structure

6-Bromo-1,3-ben...

CAS#:52112-66-0

Literature: INTELLIKINE, INC.; REN, Pingda; LIU, Yi; LI, Liansheng; CHAN, Katrina; WILSON, Troy, Edward Patent: WO2010/51042 A1, 2010 ; Location in patent: Page/Page column 134 ;
Thiourea,N-(2-hydroxyphenyl)- structure

Thiourea,N-(2-h...

CAS#:1520-26-9

~%

6-Bromo-1,3-benzoxazol-2-amine Structure

6-Bromo-1,3-ben...

CAS#:52112-66-0

Literature: Desai et al. Journal of the Chemical Society, 1934 , p. 1186,1190

 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%

 Synonyms

2-Benzoxazolamine, 6-bromo-
6-bromobenzo[d]oxazol-2-amine
2-Amino-6-bromobenzoxazole
2-Benzoxazolamine,6-bromo
6-bromo-benzoxazol-2-ylamine
6-Bromo-1,3-benzoxazol-2-amine
6-bromo-benzooxazol-2-ylamine
6-Brom-benzoxazol-2-ylamin
BENZOXAZOLE,2-AMINO-6-BROMO
6-bromo-2-Benzoxazolamine
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