Basic information
- CAS
14192-12-2- Standard SMILES
O=C(O)c1cc(I)ccc1I- InChIKey
NSKPFWAAYDFCFS-UHFFFAOYSA-N- Molecular formula
- C7H4I2O2
- Average molar mass
- 373.91 g/mol
- Monoisotopic mass
- 373.83007
Names & identifiers
- Preferred name
- 2,5-Diiodobenzoic acid
- IUPAC
- 2,5-diiodobenzoic acid
- English name
- 2,5-DIIODOBENZOIC ACID
- Molecular formula
- C7H4I2O2
- Molecular weight
- 373.91
Names & synonyms
2,5-Diiodobenzoic acid14192-12-2BENZOIC ACID, 2,5-DIIODO-8GD4M9C3GVNSC-97505DTXSID101618584-09-00-01044 (Beilstein Handbook Reference)RefChem:82877DTXCID6084349604-262-2MFCD000458012,5-Dijodbenzoesaeure [German]
Show more names
BUTTPARK 25\07-292,5-DIIODOBENZOIC2,5-diiodo-benzoicaciBenzoic acid,2,5-diiodo-Empagliflozin Impurity 3324-methylcyclohexane-1,3-diamin2,5-DIIODOBENZOIC ACID ISO 9001：2015 REACH
NSC 97505BRN 2090444SCHEMBL1277864AKOS000109332NCGC00341820-01CS-12557SY062550Z1037337344
Database identifiers
- CAS
14192-12-2- PubChem CID
- 26549
- DTXSID
DTXSID10161858- UNII
- 8GD4M9C3GV
- EC Number
- 604-262-2
- Nikkaji
- J962.845B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 183 · 183-187 °C (lit.)
- Boiling point
- 391.8 · 391.8±32.0 °C(Predicted)
- Density
- 2.559 · 2.559±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 2.51 · 2.51±0.10(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- 1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
- InChIKey
- NSKPFWAAYDFCFS-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc(I)ccc1I
- CAS DataBase Reference
- 14192 · 14192-12-2(CAS DataBase Reference)
- FDA UNII
- 8 GD4M9C3GV · 8GD4M9C3GV
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DG8596300
- hs_code
- 2916399090
- Toxicity
- mouse,LD50,intravenous,50mg/kg (50mg/kg),Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957.
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Diiodobenzoic acid was used for detection and responses of divergent compounds which are strong electron absorbers by gas chromatography with electron capture detection.
Upstream & downstream products
Downstream products
Suppliers100 total
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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
武汉欣扬瑞和化学科技有限公司
Related reactions
10 records
Compound notes
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