4-Nitrophthalic anhydride

Modify Date: 2025-08-23 11:32:26

4-Nitrophthalic anhydride Structure
4-Nitrophthalic anhydride structure
Common Name 4-Nitrophthalic anhydride
CAS Number 5466-84-2 Molecular Weight 193.113
Density 1.7±0.1 g/cm3 Boiling Point 396.5±25.0 °C at 760 mmHg
Molecular Formula C8H3NO5 Melting Point 116-120 °C(lit.)
MSDS Chinese USA Flash Point 217.8±25.2 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Nitrophthalic Anhydride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 396.5±25.0 °C at 760 mmHg
Melting Point 116-120 °C(lit.)
Molecular Formula C8H3NO5
Molecular Weight 193.113
Flash Point 217.8±25.2 °C
Exact Mass 193.001129
PSA 89.19000
LogP 1.33
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.660
InChIKey MMVIDXVHQANYAE-UHFFFAOYSA-N
SMILES O=C1OC(=O)c2cc([N+](=O)[O-])ccc21
Water Solubility Hydrolysis

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI3328000
CHEMICAL NAME :
Phthalic anhydride, 4-nitro-
CAS REGISTRY NUMBER :
5466-84-2
BEILSTEIN REFERENCE NO. :
0179682
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H3-N-O5
MOLECULAR WEIGHT :
193.12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 mg/plate
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/22;R36/37/38
Safety Phrases S26-S36-S36/37/39-S22
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS TI3328000
HS Code 2932999099

 Synthetic Route

~94%

4-Nitrophthalic anhydride Structure

4-Nitrophthalic...

CAS#:5466-84-2

Literature: D'Alelio; Gaetano F. Patent: US3979416 A1, 1976 ;

~92%

4-Nitrophthalic anhydride Structure

4-Nitrophthalic...

CAS#:5466-84-2

Literature: Leblois, Danielle; Piessard, Sylvie; Baut, Guillaume Le; Kumar, Piyush; Brion, Jean-Daniel; et al. European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 229 - 238

~%

4-Nitrophthalic anhydride Structure

4-Nitrophthalic...

CAS#:5466-84-2

Literature: Journal of the Chemical Society, , vol. 95, p. 208

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4-Nitrophthalic anhydride Structure

4-Nitrophthalic...

CAS#:5466-84-2

Literature: Letters in Organic Chemistry, , vol. 10, # 7 p. 496 - 501

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4-Nitrophthalic anhydride Structure

4-Nitrophthalic...

CAS#:5466-84-2

Literature: Journal of the Chemical Society, , p. 26,31

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4-Nitrophthalic anhydride Structure

4-Nitrophthalic...

CAS#:5466-84-2

Literature: Angewandte Chemie, , vol. 54, p. 22

 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%

 Articles1

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Synthesis and biological characterisation of 18F-SIG343 and 18F-SIG353, novel and high selectivity σ2 radiotracers, for tumour imaging properties.

EJNMMI Res. 3 , 80, (2013)

Sigma2 (σ2) receptors are highly expressed in cancer cell lines and in tumours. Two novel selective 18F-phthalimido σ2 ligands, 18F-SIG343 and 18F-SIG353, were prepared and characterised for their pot...

 Synonyms

1,3-Isobenzofurandione, 5-nitro-
EINECS 226-776-2
MFCD00005922
5-Nitro-2-benzofuran-1,3-dione
4-Nitrophthalic anhydride
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