Basic information
- CAS
609-86-9- Standard SMILES
Nc1c(I)cc(I)cc1C(=O)O- InChIKey
RFIBDMCPIREZKC-UHFFFAOYSA-N- Molecular formula
- C7H5I2NO2
- Average molar mass
- 388.93 g/mol
- Monoisotopic mass
- 388.84097
Names & identifiers
- Preferred name
- Benzoic acid, 2-amino-3,5-diiodo-
- IUPAC
- 2-amino-3,5-diiodobenzoic acid
- English name
- 2-Amino-3,5-diiodobenzoic acid
- Molecular formula
- C7H5I2NO2
- Molecular weight
- 388.93
Names & synonyms
2-Amino-3,5-diiodobenzoic acid609-86-93,5-Diiodoanthranilic acidBenzoic acid, 2-amino-3,5-diiodo-Anthranilic acid, 3,5-diiodo-NSC 4508EINECS 210-201-7BRN 0779429DTXSID40605754-14-00-01085 (Beilstein Handbook Reference)RefChem:565494DTXCID5042908
Show more names
3,5-diiodo-anthranilicaci3,5-Diiodoanthanilic acid2-amino-3,5-diiodobenzoate3,5-Diiodoanthranillic acid3,5-DiiodoanthranilicAcid>Anthranilic acid, 3,5-diiodo-3,5-DIIODO-2-AMINOBENZOIC ACID
210-201-7InChI=1/C7H5I2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12MFCD00007682NSC-45082-AMINO-3,5-DIIODOBENZOICACIDNSC45082-Amino-3,5-diiodo-benzoic acidAnthranilic acid,5-diiodo-
Database identifiers
- CAS
609-86-9- PubChem CID
- 69116
- DTXSID
DTXSID4060575- UNII
- K7QSY8U5V9
- EC Number
- 210-201-7
- Nikkaji
- J60.464J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 241 · 241-243 °C(lit.)
- Boiling point
- 441.9 · 441.9±45.0 °C(Predicted)
- Density
- 2.3815 · 2.3815 (estimate)
- pka
- 4.24 · 4.24±0.10(Predicted)
- form
- powder to crystal
- color
- White to Gray to Brown
- Sensitive
- Light Sensitive
- BRN
- 779429 · 779429
- InChI
- InChI=1S/C7H5I2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
- InChIKey
- RFIBDMCPIREZKC-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(I)=CC(I)=C1N
- CAS DataBase Reference
- 609 · 609-86-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Benzoic acid, 2-amino-3,5-diiodo- (609-86-9)
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB2999300
- hs_code
- 29224985
- Toxicity
- LD50 unr-rat: 180 mg/kg JAPMA8 42,721,53
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-3,5-diiodo-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd
Related reactions
1 records
Compound notes
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