Basic information
- Standard SMILES
COC(=O)c1cc(I)cn1C- InChIKey
KSDPSEQHPJJWMC-UHFFFAOYSA-N- Molecular formula
- C7H8INO2
- Average molar mass
- 265.05 g/mol
- Monoisotopic mass
- 264.9599765
Names & identifiers
- Preferred name
- methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 4-iodo-1-methylpyrrole-2-carboxylate
- English name
- Methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate
- Molecular formula
- C7H8INO2
- Molecular weight
- 265.05
Names & synonyms
methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate40740-42-9DTXSID80618526RefChem:355751DTXCID20569280696-304-1methyl 4-iodo-1-methylpyrrole-2-carboxylateMFCD22383936methyl N-methyl-4-iodo-2-pyrrolecarboxylateSCHEMBL7709312KSDPSEQHPJJWMC-UHFFFAOYSA-NQBA74042
Show more names
1H-Pyrrole-2-carboxylic acid, 4-iodo-1-methyl-, methyl ester
AKOS015996928EG-0735SB63259CS-0261142methyl 4-iodo-1-methyl-pyrrole-2-carboxylateEN300-7727813methyl4-iodo-1-methyl-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
40740-42-9- PubChem CID
- 21826247
- DTXSID
DTXSID80618526- EC Number
- 696-304-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 303.5 · 303.5±27.0 °C(Predicted)
- Density
- 1.8 · 1.80±0.1 g/cm3(Predicted)
- pka
- -9.84 · -9.84±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers3 total
上海博路生物科技有限公司13062875887 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
Related reactions
10 records
Linked notes
Loading…