3-Amino-2,4,6-triiodobenzoic acid

HCID 18387

Basic information

CAS
3119-15-1
Standard SMILES
Nc1c(I)cc(I)c(C(=O)O)c1I
InChIKey
QMQFFHSJUJDRPG-UHFFFAOYSA-N
Molecular formula
C7H4I3NO2
Average molar mass
514.83 g/mol
Monoisotopic mass
514.7376

Names & identifiers

Preferred name
3-Amino-2,4,6-triiodobenzoic acid
IUPAC
3-amino-2,4,6-triiodobenzoic acid
English name
3-Amino-2,4,6-triiodobenzoic acid
Molecular formula
C7H4I3NO2
Molecular weight
514.83

Names & synonyms

3-Amino-2,4,6-triiodobenzoic acid3119-15-1BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-99H77D8MTDNSC-60105DTXSID60185120RefChem:496902DTXCID70107611221-493-03-Amino-2,4,6-triiodo-benzoic acidC7H4I3NO2MFCD00007681
Show more names
3-amino-2,4,6-triiodo-benzoicaciacido3-amino-2,4,6-triiodobenzoico3-AMINO-2,4,6-TRIIODOBENZOIC ACID, 99+%3-Amino-2,4,6-triiodobenzoic Acid (50 mg)3-Amino-2,4,6-triiodobenzoic acid ISO 9001:2015 REACH3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water
3-Amino-2,4,6-triiodo-BenzoicacidEINECS 221-493-0NSC 60105BRN 2113495UNII-99H77D8MTDAcido 3-amino-2,4,6-triiodobenzoico [Italian]NSC601052,4,6-triiodo-3-aminobenzoic acid

Database identifiers

CAS
3119-15-1
PubChem CID
18387
DTXSID
DTXSID60185120
UNII
99H77D8MTD
EC Number
221-493-0
Nikkaji
J76.318G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
196 · 196-199 °C
Boiling point
478.9 · 478.9±45.0 °C(Predicted)
Density
2.7479 · 2.7479 (estimate)
vapor pressure
0.001 Pa · 0.001Pa at 25℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
1.5 · 1.50±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (60.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (55.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (60.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (55.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (60.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24581
Hazard Classes and CategoriesAcute Tox. 4 (60.9%);Acute Tox. 4 (55.1%);Skin Irrit. 2 (60.9%);Eye Irrit. 2 (100%);Acute Tox. 4 (55.1%);STOT SE 3 (60.9%)

Regulatory information

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24581

Safety data

wgk
WGK 3
rtecs
DG3349000
hs_code
2922493800
Toxicity
LD50 unr-rat: 1450 mg/kg JAPMA8 42,721,53
risk_code
36/37/38-22-20/21/22
Signal word
Warning

Chemistry & industry

Applications

Uses3-Amino-2,4,6-triiodobenzoic acid is used to prepare polymeric hydrogel based particles used in vascular embolization. It can be used in agrochemical, pharmaceutical and dyestuff field.

Suppliers72 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

12 records

Compound notes

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