Basic information
- CAS
885519-56-2- Standard SMILES
Clc1cc(I)c2cn[nH]c2c1- InChIKey
CZQKFAYNSDDHKA-UHFFFAOYSA-N- Molecular formula
- C7H4ClIN2
- Average molar mass
- 278.48 g/mol
- Monoisotopic mass
- 277.91077
Names & identifiers
- Preferred name
- 6-Chloro-4-iodo-1H-indazole
- IUPAC
- 6-chloro-4-iodo-1H-indazole
- English name
- 6-Chloro-4-iodo-1H-indazole
- Molecular formula
- C7H4ClIN2
- Molecular weight
- 278.48
Names & synonyms
6-Chloro-4-iodo-1H-indazole885519-56-2MFCD07781383SCHEMBL470105DTXSID50646194AKOS016001343CS-W006708DS-2163SB11308SY0191446-Chloro-4-iodo-1H-indazole, AldrichCPR1H-Indazole,6-chloro-4-iodo-
Show more names
6-Chloro-4-iodio-indazole6-Chloro-4-iodo-2H-indazole
AMY27341H-Indazole,6-chloDA-18839F219036
Database identifiers
- CAS
885519-56-2- PubChem CID
- 24728131
- DTXSID
DTXSID50646194
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 388.2 · 388.2±22.0 °C(Predicted)
- Density
- 2.156 · 2.156
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 11.78 · 11.78±0.40(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C7H4ClIN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
- InChIKey
- CZQKFAYNSDDHKA-UHFFFAOYSA-N
- SMILES
- IC1=CC(Cl)=CC2=C1C=NN2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses6-chloro-4-iodo-1H-indazole is used as a pharmaceutical intermediate in pharmaceutical synthesis.
Suppliers84 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
5 records
Compound notes
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