Basic information
- CAS
127580-92-1- Standard SMILES
O=C(c1ccc(Br)cc1)N1CCOCC1- InChIKey
FTAGZJAFWFNHAP-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO2
- Average molar mass
- 270.12 g/mol
- Monoisotopic mass
- 269.00514072
Names & identifiers
- Preferred name
- 4-(4-Bromobenzoyl)morpholine
- IUPAC
- (4-bromophenyl)-morpholin-4-ylmethanone
- English name
- 4-(4-BROMOBENZOYL) MORPHOLINE
- Molecular formula
- C11H12BrNO2
- Molecular weight
- 270.12
Names & synonyms
4-(4-Bromobenzoyl)morpholineRefChem:513893689-092-7(4-Bromophenyl)(morpholino)methanone127580-92-1(4-bromophenyl)(morpholin-4-yl)methanone4-(Morpholine-4-carbonyl)bromobenzene(4-bromophenyl)-morpholin-4-ylmethanoneMFCD00447938Methanone, (4-bromophenyl)-4-morpholinyl-4-Bromobenzoic acid, morpholide(4-Bromophenyl)-4-morpholinylmethanone
Show more names
(4-Bromophenyl)(morpholino)methanone - [B8790]
SCHEMBL967889DTXSID00336311FS-4857CS-0068026Z282514544-(4-BROMOBENZOYL) MORPHOLINE4-(4-Bromobe4-bromophenyl morpholin-4-yl ketone
Database identifiers
- CAS
127580-92-1- PubChem CID
- 532148
- DTXSID
DTXSID00336311- EC Number
- 689-092-7
- Nikkaji
- J2.398.101G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 56 · 56-58°
- Boiling point
- 398.7 · 398.7±37.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- -1.73 · -1.73±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers37 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [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]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京富瑞思医药科技有限公司02583221260;025-83221260 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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北京海特乐思克科技有限公司15210893940; 15116916250 · [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
15 records
Compound notes
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