2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso-

Modify Date: 2025-08-31 15:59:18

2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso- Structure
2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso- structure
Common Name 2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso-
CAS Number 2297-94-1 Molecular Weight 151.11900
Density 1.335g/cm3 Boiling Point 257.753ºC at 760 mmHg
Molecular Formula C7H5NO3 Melting Point N/A
MSDS N/A Flash Point 109.685ºC

 Names

Name 5-Nitrosotropolone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.335g/cm3
Boiling Point 257.753ºC at 760 mmHg
Molecular Formula C7H5NO3
Molecular Weight 151.11900
Flash Point 109.685ºC
Exact Mass 151.02700
PSA 66.73000
LogP 1.15030
Vapour Pressure 0.002mmHg at 25°C
Index of Refraction 1.584
InChIKey FYTNKOSUJSUKML-UHFFFAOYSA-N
SMILES O=Nc1ccc(O)c(=O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4590000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitroso-
CAS REGISTRY NUMBER :
2297-94-1
BEILSTEIN REFERENCE NO. :
2043142
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H5-N-O3
MOLECULAR WEIGHT :
151.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
16200 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 60,52,1964

 Safety Information

HS Code 2914700090

 Synthetic Route

~87%

2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso- Structure

2,4,6-Cyclohept...

CAS#:2297-94-1

Literature: Research Foundation Itsuu Laboratory Patent: EP1357104 A1, 2003 ; Location in patent: Page/Page column 6-7 ;

~%

2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso- Structure

2,4,6-Cyclohept...

CAS#:2297-94-1

Literature: Brasen,W.R. et al. Journal of the American Chemical Society, 1961 , vol. 83, p. 3125 - 3135

~%

2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso- Structure

2,4,6-Cyclohept...

CAS#:2297-94-1

Literature: Brasen,W.R. et al. Journal of the American Chemical Society, 1961 , vol. 83, p. 3125 - 3135

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

4,5-nitroso
5-Nitroso-tropolon
5-nitroso-pyrimidine-4,6-diamine
5-nitroso tropolone
4,6-Pyrimidinediamine,5-nitroso
4,6-diamino-5-nitroso-pyrimidine
5-Nitroso-pyrimidin-4,6-diyldiamin
5-nitroso-pyrimidine-4,6-diyldiamine
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