Acetrizoic Acid

Modify Date: 2026-06-30 15:22:17

Acetrizoic Acid Structure
Acetrizoic Acid structure
Common Name Acetrizoic Acid
CAS Number 85-36-9 Molecular Weight 556.862
Density 2.8±0.1 g/cm3 Boiling Point 547.1±50.0 °C at 760 mmHg
Molecular Formula C9H6I3NO3 Melting Point N/A
MSDS N/A Flash Point 284.7±30.1 °C

 Use of Acetrizoic Acid


Acetrizoic acid is a molecule used as a contrast medium.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Acetrizoic Acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 2.8±0.1 g/cm3
Boiling Point 547.1±50.0 °C at 760 mmHg
Molecular Formula C9H6I3NO3
Molecular Weight 556.862
Flash Point 284.7±30.1 °C
Exact Mass 556.748169
PSA 66.40000
LogP 1.04
Vapour Pressure 0.0±1.5 mmHg at 25°C
Index of Refraction 1.802
InChIKey GNOGSFBXBWBTIG-UHFFFAOYSA-N
SMILES CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG0887000
CHEMICAL NAME :
Benzoic acid, 3-acetamido-2,4,6-triiodo-
CAS REGISTRY NUMBER :
85-36-9
BEILSTEIN REFERENCE NO. :
2219129
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H6-I3-N-O3
MOLECULAR WEIGHT :
556.86
WISWESSER LINE NOTATION :
QVR BI DI FI CMV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,721,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 18,33,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 18,33,1963

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Risk Phrases R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases S26-S36/37/39
RTECS DG0887000
HS Code 2924299090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

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Acetrizoic Acid Structure

Acetrizoic Acid

CAS#:85-36-9

Learn More
Literature: Journal of the American Chemical Society, , vol. 74, p. 4365,4366

~%

Acetrizoic Acid Structure

Acetrizoic Acid

CAS#:85-36-9

Learn More
Literature: Chemicke Listy, , vol. 46, p. 305 Chem.Abstr., , p. 4304 Bulletin de la Societe Chimique de France, , p. 1537 Nature (London, United Kingdom), , vol. 183, p. 1474

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Acetrizoic AcidBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: Increase the activity of the Burkholderia fixLJ 2-component system
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Burkholderia multivorans
External Id: HMS1625
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

MFCD00016495
3-(acetylamino)-2,4,6-triiodobenzoic acid
EINECS 201-600-7
UNII:24256BQV7M
3-Acetamido-2,4,6-triiodobenzoic acid

 Acetrizoic Acid | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does Acetrizoic Acid have?
A: English synonyms of Acetrizoic Acid: MFCD00016495, 3-(acetylamino)-2,4,6-triiodobenzoic acid, EINECS 201-600-7, UNII:24256BQV7M, 3-Acetamido-2,4,6-triiodobenzoic acid.
Q: What is the LogP of Acetrizoic Acid?
A: LogP of Acetrizoic Acid is 1.04.
Q: What is the polar surface area (PSA) of Acetrizoic Acid?
A: Polar surface area (PSA) of Acetrizoic Acid is 66.40000.
Q: What are the uses of Acetrizoic Acid?
A: Main uses of Acetrizoic Acid: Acetrizoic acid is a molecule used as a contrast medium.
Q: What is the CAS number of Acetrizoic Acid?
A: CAS number of Acetrizoic Acid is 85-36-9.
Q: What is the safety information for Acetrizoic Acid?
A: Safety information for Acetrizoic Acid: S26-S36/37/39.
Q: What is the boiling point of Acetrizoic Acid?
A: Boiling point of Acetrizoic Acid is 547.1±50.0 °C at 760 mmHg.
Q: What is the InChIKey of Acetrizoic Acid?
A: InChIKey of Acetrizoic Acid is GNOGSFBXBWBTIG-UHFFFAOYSA-N.
Q: What is the molecular weight of Acetrizoic Acid?
A: Molecular weight of Acetrizoic Acid is 556.862.
Q: What is the English name of Acetrizoic Acid?
A: The English name of Acetrizoic Acid is Acetrizoic Acid.

 Acetrizoic Acidfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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