Basic information
- CAS
78080-34-9- Standard SMILES
CCCCNC(=O)c1ccc(Br)cc1- InChIKey
QSUXNVNNPIUCAH-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO
- Average molar mass
- 256.14 g/mol
- Monoisotopic mass
- 255.02588
Names & identifiers
- Preferred name
- 4-bromo-N-butylbenzamide
- IUPAC
- 4-bromo-N-butylbenzamide
- English name
- 4-Bromo-N-butylbenzamide
- Molecular formula
- C11H14BrNO
- Molecular weight
- 256.14
Names & synonyms
4-bromo-N-butylbenzamide78080-34-9DTXSID40409078RefChem:291068DTXCID10359930N-BUTYL 4-BROMOBENZAMIDEn-butyl-4-bromobenzamideMFCD004561694-bromo-N-butyl-benzamide4-Bromo-N-n-butylbenzamideSCHEMBL4768144AKOS000177472
Show more names
Benzamide, 4-bromo-N-butyl-4-BroMo-N-n-butylbenzaMide, 97%4-Bromo-N-butylbenzamide USP/EP/BP
BS-24336CS-0212189
Database identifiers
- CAS
78080-34-9- PubChem CID
- 5166002
- DTXSID
DTXSID40409078- Nikkaji
- J2.702.105K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 88.5 · 88.5-89 °C
- Boiling point
- 364.2 · 364.2±25.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.63 · 14.63±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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