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Basic information
- CAS
7461-41-8- Standard SMILES
CC(C)NC(=O)c1ccc(Cl)cc1- InChIKey
MWWJUXGMIOUFOP-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.06074168
Names & identifiers
- Preferred name
- 4-Chloro-N-(1-methylethyl)benzamide
- IUPAC
- 4-chloro-N-propan-2-ylbenzamide
- English name
- 4-Chloro-N-isopropylbenzamide
- Molecular formula
- C10H12ClNO
- Molecular weight
- 197.66
Names & synonyms
7461-41-8BENZAMIDE, p-CHLORO-N-ISOPROPYL-Benzamide, 4-chloro-N-(1-methylethyl)-4-chloro-N-(1-methylethyl)benzamideDTXSID00225594RefChem:1070523DTXCID301480854-Chloro-N-isopropylbenzamide4-chloro-N-propan-2-ylbenzamideN-isopropyl-4-chlorobenzamide4-chloro-N-(propan-2-yl)benzamideNSC-404991
Show more names
p-Chloro-N-isopropylbenzamideNSC 404991BRN 2047392AI3-14647NSC404991A8TTQ5Q7EAN-Isopropyl-p-chlorobenzamideN-Isopropyl 4-chlorobenzamide
Database identifiers
- CAS
7461-41-8- PubChem CID
- 24045
- DTXSID
DTXSID00225594- UNII
- A8TTQ5Q7EA
- Nikkaji
- J149.075C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 327.6 · 327.6±25.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.46(Predicted)
- CAS DataBase Reference
- 7461 · 7461-41-8
- FDA UNII
- 8 TTQ5Q7EA · A8TTQ5Q7EA
Chemistry & industry
Suppliers10 total
苏州市森菲达化工有限公司18796480002 18796480002 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
2 records
Compound notes
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