6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

Modify Date: 2024-01-04 14:15:30

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure
6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE structure
 Common Name 6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
CAS Number 14529-12-5 Molecular Weight 211.60200
Density 1.476 g/cm3 Boiling Point 346.9ºC at 760 mmHg
Molecular Formula C9H6ClNO3 Melting Point 113℃
MSDS N/A Flash Point 163.6ºC

 Names

Name 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.476 g/cm3
Boiling Point 346.9ºC at 760 mmHg
Melting Point 113℃
Molecular Formula C9H6ClNO3
Molecular Weight 211.60200
Flash Point 163.6ºC
Exact Mass 211.00400
PSA 52.21000
LogP 1.14510
Vapour Pressure 5.57E-05mmHg at 25°C
Index of Refraction 1.597
Storage condition 2-8℃

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM3120000
CHEMICAL NAME :
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-1-methyl-
CAS REGISTRY NUMBER :
14529-12-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-Cl-N-O3
MOLECULAR WEIGHT :
211.61
WISWESSER LINE NOTATION :
T66 BNVOVJ B1 HG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
17400 mg/kg
SEX/DURATION :
male 8 day(s) pre-mating female 21 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966

 Synthetic Route

carbon monoxide structure

carbon monoxide

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~78%

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

CAS#:14529-12-5
Literature: Guan, Zheng-Hui; Chen, Ming; Ren, Zhi-Hui Journal of the American Chemical Society, 2012 , vol. 134, # 42 p. 17490 - 17493,4
5-Chloroisatonic anhydride structure

5-Chloroisatoni...

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Methyl bromide structure

Methyl bromide

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~72%

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

CAS#:14529-12-5
Literature: Clark, Rachel L.; Clements, Carol J.; Barrett, Michael P.; MacKay, Simon P.; Rathnam, Rajendra P.; Owusu-Dapaah, George; Spencer, John; Huggan, Judith K. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 20 p. 6019 - 6033
5-Chloroisatonic anhydride structure

5-Chloroisatoni...

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methyl iodide structure

methyl iodide

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~91%

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

CAS#:14529-12-5
Literature: ALFA WASSERMANN S.p.A. Patent: EP620210 A1, 1994 ;
5-chloro-1-methyl-1H-indole-2,3-dione structure

5-chloro-1-meth...

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6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

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Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 17 p. 2427 - 2430
N-(4-chlorophenyl)-2-(hydroxyimino) acetamide structure

N-(4-chlorophen...

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6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

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5-Chloroindoline-2,3-dione structure

5-Chloroindolin...

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6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

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Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 17 p. 2427 - 2430
4-Chloroaniline structure

4-Chloroaniline

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~%

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

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Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 17 p. 2427 - 2430
5-Chloroisatonic anhydride structure

5-Chloroisatoni...

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~%

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

CAS#:14529-12-5
Literature: Journal of Medicinal Chemistry, , vol. 34, # 4 p. 1492 - 1503
Ethyl chloroformate structure

Ethyl chloroformate

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Dimethyl sulfate structure

Dimethyl sulfate

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2-Amino-5-chlorobenzoic acid structure

2-Amino-5-chlor...

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~%

6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Structure

6-CHLORO-1-METH...

CAS#:14529-12-5
Literature: Journal of the Indian Chemical Society, , vol. 56, # 7 p. 708 - 711

 Synonyms

5-CHLORO-N-METHYLISATOIC ANHYDRIDE
F1943-0050
N-methyl-5-chloroisatoic anhydride
EINECS 238-551-6
N-methyl-6-chloroisatoic anhydride
6-Chloro-N-methyl IA
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Chemsrc provides CAS#:14529-12-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE>> amp version: 6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

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