Basic information
- CAS
83935-45-9- Standard SMILES
CC(=O)c1ccc(-n2c(C)ccc2C)cc1- InChIKey
QYTWQHUEXYLNLA-UHFFFAOYSA-N- Molecular formula
- C14H15NO
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.1153641
Names & identifiers
- Preferred name
- N-(4-Acetylphenyl)-2,5-dimethylpyrrole
- IUPAC
- 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanone
- English name
- N-(4-Acetylphenyl)-2,5-dimethylpyrrole
- Molecular formula
- C14H15NO
- Molecular weight
- 213.27
Names & synonyms
1-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)ethanoneN-(4-Acetylphenyl)-2,5-dimethylpyrrole1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]ethanoneRefChem:827078662-253-983935-45-91-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanone1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]ethan-1-oneMFCD000518161-acetyl-4-(2,5-dimethylpyrrolyl)benzene1-(4-ACETYLPHENYL)-2,5-DIMETHYLPYRROLECBMicro_011990
Show more names
N-(4-Acetylpenl)-2,5-dimethylpyrroleN-(4-Acetylphenyl)-2,5-dimethylpyrrole,98%1-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]ethanone1-[4-(2,5-DIMETHYL-PYRROL-1-YL)-PHENYL]-ETHANONEEthanone, 1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-
Cambridge id 6003203SCHEMBL39391431-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1-ethanoneDTXSID10335072QYTWQHUEXYLNLA-UHFFFAOYSA-NSMSF0011027SBB061778STK085961
Database identifiers
- CAS
83935-45-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 109 · 109-113 °C
- BRN
- 156837 · 156837
- CAS DataBase Reference
- 83935 · 83935-45-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36-22
- Safety Statements
- 36 · 36/37-62-36/37/39-6
- HS Code
- 29339900 · 29339900
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- hs_code
- 29339900
- risk_code
- 20/21/22-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37-62-36/37/39-6
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers25 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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