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Basic information
- CAS
1197-12-2- Standard SMILES
COC(=O)c1cc(Cl)c(Cl)[nH]1- InChIKey
QDFVSOPGBXZRSC-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2NO2
- Average molar mass
- 194.01 g/mol
- Monoisotopic mass
- 192.9697338
Names & identifiers
- Preferred name
- Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
- English name
- Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
- Molecular formula
- C6H5Cl2NO2
- Molecular weight
- 194.02
Names & synonyms
Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate1197-12-2MFCD13193111Methyl4,5-dichloro-1H-pyrrole-2-carboxylateSCHEMBL3338566DTXSID60469477SBB091662AKOS005073279LD-0244SB63241methyl 4,5-dichloropyrrole-2-carboxylateCS-0038222
Show more names
4,5-Dichlor-1H-pyrrol-2-carbonsaeure-methylester
methyl 4,5-dichloro-1H-pyrrole-2- carboxylateF2175111H-Pyrrole-2-carboxylic acid, 4,5-dichloro-, methyl ester
Database identifiers
- CAS
1197-12-2- PubChem CID
- 11615336
- DTXSID
DTXSID60469477
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 163 · 163-164°
- Boiling point
- 324.6 · 324.6±37.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.59 · 12.59±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Suppliers12 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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