Basic information
- CAS
2199-64-6- Standard SMILES
CCOC(=O)c1[nH]c(C)c(C=O)c1C- InChIKey
CLJUICOFPKFFGJ-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- 2199-64-6
- IUPAC
- ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
- English name
- ETHYL 4-FORMYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
2199-64-6ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate4-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterDTXSID20176418NSC 13665RefChem:267457DTXCID7098909640-534-7InChI=1/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)7(3)11-9/h5,11H,4H2,1-3Hethyl 3,5-dimethyl-4-formylpyrrole-2-carboxylateMFCD00030384NSC13665
Show more names
BUTTPARK 96\50-08TIMTEC-BB SBB0101344-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid3,5-Dimethyl-2-(ethoxycarbonyl)-4-formyl-1H-pyrroleEthyl 3,5-dimethyl-4-formyl-1H-pyrrole-2-carboxylate
SCHEMBL18015311H-Pyrrole-2-carboxylic acid, 4-formyl-3,5-dimethyl-, ethyl esterethyl 4-formyl-3,5-dimethylpyrrole-2-carboxylatePyrrole-2-carboxylic acid, 4-formyl-3,5-dimethyl-, ethyl ester (6CI,7CI,8CI);Ethyl 4-formyl-3,5-dimethylpyrrole-2-carboxylate; NSC 13665ETHYL4-FORMYLETHYL4-FORMYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATEALBB-038429CAA19964
Database identifiers
- CAS
2199-64-6- PubChem CID
- 137486
- DTXSID
DTXSID20176418- EC Number
- 640-534-7
- Nikkaji
- J724.573D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 142 · 142 - 145oC
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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.
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers29 total
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海堃睿化工科技有限公司
Related reactions
6 records
Compound notes
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