Basic information
- CAS
67036-97-9- Standard SMILES
CC1=CC(C)=N/C1=C\c1[nH]c(C)cc1C.Cl- InChIKey
SONPMPUHCHDTQZ-QCCGTXRUSA-N- Molecular formula
- C13H17ClN2
- Average molar mass
- 236.74 g/mol
- Monoisotopic mass
- 236.1080262
Names & identifiers
- Preferred name
- 2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride
- IUPAC
- (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride
- English name
- 2-((3,5-Dimethyl-2H-pyrrol-2-ylidene)me&
- Molecular formula
- C13H16N2.ClH
- Molecular weight
- 236.74
Names & synonyms
67036-97-92-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride2-((3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl)-3,5-dimethyl-1H-pyrrole hydrochlorideSCHEMBL17229722-((3,5-Dimethyl-2H-pyrrol-2-ylidene)me&3, 5, 3μ, 5μ-Tetramethyl-1H, 2μH-2, 2μ-methanylylidene-bis-pyrrole hydrochloride2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride 97%
Database identifiers
- CAS
67036-97-9- PubChem CID
- 16218331
- EC Number
- 693-023-6
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 220 · 220-224 °C
- form
- solid
- InChI
- 1S/C13H16N2.ClH/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H/b13-7+;
- InChIKey
- SONPMPUHCHDTQZ-FTPOTTDRSA-N
- SMILES
- Cl.CC1=NC(=C\c2[nH]c(C)cc2C)\C(C)=C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Hazard statements
- 413 · H413
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 · Aquatic Chronic 4
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- 3
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
Chemistry & industry
Suppliers5 total
Aladdin Scientific[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]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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