1,3-Benzodioxole-5-carboxaldehyde,6-nitro-

Names

[ CAS No. ]:
712-97-0

[ Name ]:
1,3-Benzodioxole-5-carboxaldehyde,6-nitro-

[Synonym ]:
MFCD00005829
EINECS 211-926-1
6-nitro-1,3-benzodioxole-5-carbaldehyde

Chemical & Physical Properties

[ Density]:
1.572 g/cm3

[ Boiling Point ]:
365.9ºC at 760 mmHg

[ Melting Point ]:
93-94 °C(lit.)

[ Molecular Formula ]:
C₈H₅NO₅

[ Molecular Weight ]:
195.12900

[ Flash Point ]:
195ºC

[ Exact Mass ]:
195.01700

[ PSA ]:
81.35000

[ LogP ]:
1.65920

[ Index of Refraction ]:
1.658

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF4912750

CHEMICAL NAME :: 1,3-Benzodioxole-5-carboxaldehyde, 6-nitro-

CAS REGISTRY NUMBER :: 712-97-0

LAST UPDATED :: 199410

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H5-N-O5

MOLECULAR WEIGHT :: 195.14

WISWESSER LINE NOTATION :: T56 BO DO CHJ GVH HNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 100 ug/plate

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 40,2211,1992

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DF4912750

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

No-carrier-added regioselective preparation of 6-[18F]fluoro-L-dopa.

J. Nucl. Med. 31(7) , 1247-51, (1990)

This paper describes the preparation of 6-[18F]fluoro-L-dopa by a no-carrier-added method based on the nucleophilic displacement of nitro groups of two commercially available substrates, 3,4-dimethoxy...

Can we predict reactivity for aromatic nucleophilic substitution with [18F] fluoride ion? Rengan R, et al.

J. Labelled Comp. Radiopharm. 33(7) , 563-572, (1993)