4-Amino-3,5-diiodobenzoic acid

Modify Date: 2024-01-02 00:10:19

4-Amino-3,5-diiodobenzoic acid Structure
4-Amino-3,5-diiodobenzoic acid structure
 Common Name 4-Amino-3,5-diiodobenzoic acid
CAS Number 2122-61-4 Molecular Weight 388.92900
Density 2.621g/cm3 Boiling Point 448.7ºC at 760mmHg
Molecular Formula C7H5I2NO2 Melting Point >300 °C(lit.)
MSDS N/A Flash Point 225.2ºC

 Names

Name 4-Amino-3,5-diiodobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.621g/cm3
Boiling Point 448.7ºC at 760mmHg
Melting Point >300 °C(lit.)
Molecular Formula C7H5I2NO2
Molecular Weight 388.92900
Flash Point 225.2ºC
Exact Mass 388.84100
PSA 63.32000
LogP 2.75740
Vapour Pressure 7.73E-09mmHg at 25°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG2310000
CHEMICAL NAME :
Benzoic acid, 4-amino-3,5-diiodo-
CAS REGISTRY NUMBER :
2122-61-4
BEILSTEIN REFERENCE NO. :
2103037
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H5-I2-N-O2
MOLECULAR WEIGHT :
388.93
WISWESSER LINE NOTATION :
ZR BI FI DVQ

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 :
515 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03073

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S37/39-S36/37/39
WGK Germany 3
RTECS DG2310000
HS Code 2922499990

 Synthetic Route

4-Aminobenzoic acid structure

4-Aminobenzoic acid

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~79%

4-Amino-3,5-diiodobenzoic acid Structure

4-Amino-3,5-dii...

CAS#:2122-61-4

Literature: Khansole, Sandeep V.; Junne, Subhash B.; Sayyed, Mudassar A.; Vibhute, Yeshwant B. Synthetic Communications, 2008 , vol. 38, # 11 p. 1792 - 1798
Benzoic acid,4-amino-3,5-diiodo-, ethyl ester structure

Benzoic acid,4-...

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~96%

4-Amino-3,5-diiodobenzoic acid Structure

4-Amino-3,5-dii...

CAS#:2122-61-4

Literature: Hirschfeld; Buschauer; Elz; Schunack; Ruat; Traiffort; Schwartz Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2231 - 2238
Benzocaine structure

Benzocaine

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~%

4-Amino-3,5-diiodobenzoic acid Structure

4-Amino-3,5-dii...

CAS#:2122-61-4

Literature: Journal of Medicinal Chemistry, , vol. 35, # 12 p. 2231 - 2238
2-Iodo-4-methylaniline structure

2-Iodo-4-methyl...

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4-Amino-3,5-diiodobenzoic acid Structure

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Literature: American Chemical Journal, , vol. 42, p. 457
N-(2-iodo-4-methylphenyl)acetamide structure

N-(2-iodo-4-met...

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4-Amino-3,5-diiodobenzoic acid Structure

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CAS#:2122-61-4

Literature: American Chemical Journal, , vol. 42, p. 457
4-Acetamido-3-iodobenzoic acid structure

4-Acetamido-3-i...

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4-Amino-3,5-diiodobenzoic acid Structure

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CAS#:2122-61-4

Literature: American Chemical Journal, , vol. 42, p. 457
4-Acetamido-3-iodobenzoic acid structure

4-Acetamido-3-i...

CAS#:190071-24-0

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4-Amino-3,5-diiodobenzoic acid Structure

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CAS#:2122-61-4

4-Aminobenzoic acid structure

4-Aminobenzoic acid

CAS#:150-13-0

Literature: American Chemical Journal, , vol. 42, p. 457
Hydrochloric acid structure

Hydrochloric acid

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Iodine monochloride structure

Iodine monochloride

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4-Aminobenzoic acid structure

4-Aminobenzoic acid

CAS#:150-13-0

~%

4-Amino-3,5-diiodobenzoic acid Structure

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CAS#:2122-61-4

Literature: American Chemical Journal, , vol. 42, p. 457 American Chemical Journal, , vol. 1, p. 264
Hydrochloric acid structure

Hydrochloric acid

CAS#:7647-01-0

4-Acetamido-3-iodobenzoic acid structure

4-Acetamido-3-i...

CAS#:190071-24-0

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4-Amino-3,5-diiodobenzoic acid Structure

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CAS#:2122-61-4

4-Amino-3-iodobenzoic acid structure

4-Amino-3-iodob...

CAS#:2122-63-6

Detail
Literature: American Chemical Journal, , vol. 42, p. 457

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-Amino-3,5-dijod-benzoesaeure
BENZOIC ACID,4-AMINO-3,5-DIIODO
EINECS 218-331-6
4-Amino-3,5-diiodo-Benzoicacid
MFCD00007684
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