Basic information
- CAS
306936-14-1- Standard SMILES
Cc1cc(C(=O)O)c(C)n1Cc1cccs1- InChIKey
MYRBXKXOHIDTFU-UHFFFAOYSA-N- Molecular formula
- C12H13NO2S
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.06669983
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid
- English name
- 2,5-DIMETHYL-1-(2-THIENYLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID
- Molecular formula
- C12H13NO2S
- Molecular weight
- 235.3
Names & synonyms
306936-14-12,5-Dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxylic acidDTXSID203712642,5-Dimethyl-1-((thiophen-2-yl)methyl)-1H-pyrrole-3-carboxylic acidRefChem:247534DTXCID40322298850-825-22,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid2,5-DIMETHYL-1-(2-THIENYLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acidMFCD015672172,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylic acid
Show more names
BUTTPARK 97\57-072,5-DIMETHYL-1-(2-THIENYLMETHYL)PYRROLE-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylicaci2,5-DIMETHYL-1-(THIEN-2-YLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID2,5-DIMETHYL-1-(2-THIENYLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID ISO 9001：2015 REACH
1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2-thienylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acidMaybridge1_008501Oprea1_831912orb3030697CHEMBL5079688SCHEMBL15987441HMS565K09
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 184 °C · 184 °C
- CAS DataBase Reference
- 306936 · 306936-14-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic Acid is a reagent used in the preparation of substituted hydroxamic acids as inhibitors of HDAC6.
Suppliers10 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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