Basic information
- CAS
78686-83-6- Standard SMILES
COC(=O)c1cc(I)cnc1Cl- InChIKey
XJAILSCNCPJQPH-UHFFFAOYSA-N- Molecular formula
- C7H5ClINO2
- Average molar mass
- 297.48 g/mol
- Monoisotopic mass
- 296.90535408
Names & identifiers
- Preferred name
- Methyl 2-Chloro-5-iodonicotinate
- IUPAC
- methyl 2-chloro-5-iodopyridine-3-carboxylate
- English name
- METHYL 2-CHLORO-5-IODONICOTINATE
- Molecular formula
- C7H5ClINO2
- Molecular weight
- 297.48
Names & synonyms
Methyl 2-Chloro-5-iodonicotinate78686-83-6DTXSID70377498RefChem:354196DTXCID70328526methyl 2-chloro-5-iodopyridine-3-carboxylateMFCD066596073-Pyridinecarboxylic acid, 2-chloro-5-iodo-, methyl esterSCHEMBL15055072-chloro-5-iodo-nicotinic acid methyl estermethyl 5-iodo-2-chlormethyl 5-iodo-2-chloronicotinate
Show more names
2-Chloro-5-iodoicotinic acid methyl esterMethyl 2-chloro-5-iodo-3-pyridinecarboxylate
methyl-2-chloro-5-iodonicotinateXJAILSCNCPJQPH-UHFFFAOYSA-NDDA68683SBB053848AKOS005071592SY041325DB-010177CS-0081039
Database identifiers
- CAS
78686-83-6- PubChem CID
- 2764559
- DTXSID
DTXSID70377498- EC Number
- 119-194-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 70 · 70-73°
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers67 total
上海康恩博医药科技有限公司17510465506 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
8 records
Compound notes
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