Basic information
- CAS
19715-80-1- Standard SMILES
CN(C)C(=O)Cc1ccc(Br)cc1- InChIKey
CNGVHZAORFMGBW-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO
- Average molar mass
- 242.11 g/mol
- Monoisotopic mass
- 241.0102261
Names & identifiers
- Preferred name
- 2-(4-bromophenyl)-N,N-dimethylacetamide
- IUPAC
- 2-(4-bromophenyl)-N,N-dimethylacetamide
- English name
- CHEMBRDG-BB 6617565
- Molecular formula
- C10H12BrNO
- Molecular weight
- 242.11
Names & synonyms
2-(4-bromophenyl)-N,N-dimethylacetamide19715-80-1DTXSID20405038RefChem:252046DTXCID70355892Benzeneacetamide, 4-bromo-N,N-dimethyl-MFCD02860725STK5018774-bromo-N,N-dimethylbenzene acetamide4-Bromo-N,N-dimethyl-benzeneacetamideAKOS005172286SB77369
Show more names
Albb-009557CHEMBRDG-BB 66175652-(4-bromobenzene)-N,N-dimethylacetamide2-(4-bromophenyl)-N,N-dimethyl-ethanamide2-(4-bromophenyl)-N,N-dimethylacetamide(SALTDATA: FREE)
LS-03131CS-0300202N10186Z32014854AM867322-(4-bromophenyl)-N,N-dimethyl-acetamideFT-0679616A880058
Database identifiers
- CAS
19715-80-1- PubChem CID
- 4631595
- DTXSID
DTXSID20405038- ChEMBL
CHEMBL460028- Nikkaji
- J3.721.089G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 64 · 64-66 °C
- Boiling point
- 335.9 · 335.9±25.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -0.61 · -0.61±0.70(Predicted)
- form
- solid
- InChI
- 1S/C10H12BrNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
- InChIKey
- CNGVHZAORFMGBW-UHFFFAOYSA-N
- SMILES
- O=C(CC1=CC=C(Br)C=C1)N(C)C
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 13 · 13 - Non Combustible Solids
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
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-(4-Bromophenyl)-N,N-dimethylacetamide (cas# 19715-80-1) can be used in the preparation of bicyclic pyridine compositions, which may be used in cancer therapy.
Suppliers23 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Aladdin Scientific[email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
10 records
Compound notes
Loading…